C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

ọja

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn alaye nkan elo

Nọmba iforukọsilẹ CAS

22423-26-3

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 240.21 -
Oju Iyọ (Ayẹwo) 218 °C Ohun elo: Ethanol;Isopropanol
Oju Ise (Asọtẹlẹ) 452,0 ± 55,0 °C Tẹ: 760 Torr
iwuwo (Asọtẹlẹ) 1,88 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr
pKa (Asọtẹlẹ) 12.56 ± 0.60 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

Ẹ̀RẸ̀ KẸ̀LẸ̀

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

ISOMERIC SMILES

O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]

InChi

InChi = 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1

InChi Key

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Awọn orukọ miiran fun nkan yii

(2R,3 R,3aS,9aR-2,3,3a,9a-Tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan (ACI);

6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl- (6CI, 7CI, 8CI);6H-Furo

[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 OJU: 18 ti o ni ẹtọ DNA;12: PN: US20040005565 OJU: 17- 22 ti o ni ẹtọ DNA;12: PN: US20040005570 OJU: 18 ti o ni ẹtọ DNA;12: PN: US20040006029 OJU: 21 DNA ti o ni ẹtọ;12: PN: US20040014051 OJU: 21 ti o ni ẹtọ DNA;1: PN: WO20050 06958 OJU: 59 ti o ni ẹtọ DNA;2,2 '-Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil;3: PN: WO2005007825 OJU: 59 ti o ni ẹtọ DNA;84: PN: US20040005707 OJU: 18 ti o ni ẹtọ DNA;9: PN: US20040014048 OJU: 19 ti o ni ẹtọ DNA;9: PN: US20040014049 EWE: 19

DNA ti a beere;O2,2 '-Anhydro-5-methyluridine;O2,2 '-Anhydro-5-methyluridine;TK 112690

Esiperimenta Properties

Awọn ohun-ini ti o wa
Gbona

Gbona

Ohun ini Iye Ipo Orisun
Ojuami Iyo 240-242 °C (1) CAS
Ojuami Iyo 218 °C Ohun elo: Ethanol;Isopropanol (2) CAS
Ojuami Iyo Wo Ẹkunrẹrẹ Ọrọ (3) CAS
Ojuami Iyo Wo Ẹkunrẹrẹ Ọrọ (4) CAS

(1) Oliveira, Maralise P.;Iwe akosile ti Ẹgbẹ Kemikali Ilu Brazil, (2015), 26 (4), 816-821, CAplus

(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) Manoharan, Muthiah;US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.;WO2003048315, A2, 2003, CAplus

Sipekitira esiperimenta

Spectra availabl
1 H NMR
13 C NMR
Hetero NMR
Ibi

Awọn ohun-ini asọtẹlẹ

Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
Gbona

Ti ibi

Ohun ini Iye Ipo Orisun
Bioconcentration ifosiwewe 1.0 pH 1;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 2;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 3;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 4;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 5;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 6;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 7;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 8;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 9;Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.0 pH 10;Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikali

Ohun ini Iye Ipo Orisun
Koc 12.9 pH 1;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 2;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 3;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 4;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 5;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 6;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 7;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 8;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 9;Iwọn otutu: 25 °C (1) ACD
Koc 12.9 pH 10;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 1;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 2;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 3;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 4;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 5;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 6;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 7;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 8;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 9;Iwọn otutu: 25 °C (1) ACD
logD -0.49 pH 10;Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
logP -0,491 ± 0.556 Iwọn otutu: 25 °C (1) ACD
Ibi Isoju Agbekale 3.1 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 1;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 2;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 3;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 4;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 5;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 6;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 7;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 8;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 9;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L pH 10;Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 3.1 g/L Omi ti ko ni ipamọ pH 6.94;Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 0.013 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 1;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 2;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 3;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 4;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 5;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 6;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 7;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 8;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 9;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 10;Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.013 mol/L Omi ti ko ni ipamọ pH 6.94;Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 240.21    
pKa 12.56 ± 0.60 Pupọ Epo otutu: 25 °C (1) ACD
pKa -4,36 ± 0,60 Pupọ Ipilẹ otutu: 25 °C (1) ACD
Oru Ipa 4,54 x 10-10 Torr Iwọn otutu: 25 °C (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ohun ini Iye Ipo Orisun
iwuwo 1,88 ± 0,1 g / cm3 Iwọn otutu: 20 °C;Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 127,5 ± 7,0 cm3 / mol Iwọn otutu: 20 °C;Tẹ: 760 Torr (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ohun ini Iye Ipo Orisun
Larọwọto Rotatable Bonds 3   (1) ACD
H Awọn olugba 7   (1) ACD
H Awọn oluranlọwọ 2   (1) ACD
H Oluranlọwọ / Olugba Apapọ 9   (1) ACD
logP -0,491 ± 0.556 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 240.21    

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ilana Jẹmọ

Ohun ini Iye Orisun ipo
Pola dada Area 91.6 A2 (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Gbona

Ohun ini Iye Ipo Orisun
Ojuami farabale 452,0 ± 55,0 °C Tẹ: 760 Torr (1) ACD
Enthalpy ti Vaporization 82,04 ± 6,0 kJ / mol Tẹ: 760 Torr (1) ACD
Oju filaṣi 227,2 ± 31,5 °C   (1) ACD

(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra asọtẹlẹ

Spectra wa
1 H NMR
13 C NMR


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