C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

ọja

C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

Alaye ipilẹ:


Alaye ọja

ọja Tags

Awọn ohun-ini ti ara

Key Properties Properties Iye Ipo
Òṣuwọn Molikula 397.43 -
Oju Ise (Asọtẹlẹ) 671,5 ± 55,0 °C Tẹ: 760 Torr
iwuwo (Asọtẹlẹ) 1,316 ± 0,06 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr
pKa (Asọtẹlẹ) 3.84± 0.21 Pupọ Epo otutu: 25 °C

Miiran awọn orukọ ati idamo

SILES Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCCNC(=O)N

Isomeric SMILES C(OC(N[C@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2

InChi

InChi=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28) 29-12-17-15-8-3-1-6-13 (15)14-7-2-4-9-16 (14)17/h1-4,6-9,17-18H, 5,10-12H2,(H,24,28)(H,25,26)(H3,22,23,27)/t18-/m0/s1

InChi Key

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Awọn orukọ miiran fun nkan yii

N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbon] -L-ornithine (ACI); (2S) -5- (Carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) pentanoic acid; (2S)-5-(Carbamoylamino) -2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid; 218: PN: U S20070042401 OJU: 29 ti o ni ẹtọ amuaradagba; 909: PN: WO2006135786 EWE: 59 so protein; Fmoc-L-Citrulline

Sipekitira esiperimenta

Spectra wa
1H NMR
13C 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 54.3 pH 1; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 52.8 pH 2; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 40.0 pH 3; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 11.7 pH 4; Iwọn otutu: 25 °C (1) ACD
Bioconcentration ifosiwewe 1.45 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 606 pH 1; Iwọn otutu: 25 °C (1) ACD
Koc 589 pH 2; Iwọn otutu: 25 °C (1) ACD
Koc 446 pH 3; Iwọn otutu: 25 °C (1) ACD
Koc 130 pH 4; Iwọn otutu: 25 °C (1) ACD
Koc 16.2 pH 5; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Koc 1.76 pH 6; Iwọn otutu: 25 °C (1) ACD
Koc 1.0 pH 7; Iwọn otutu: 25 °C (1) ACD
Koc 1.0 pH 8; Iwọn otutu: 25 °C (1) ACD
Koc 1.0 pH 9; Iwọn otutu: 25 °C (1) ACD
Koc 1.0 pH 10; Iwọn otutu: 25 °C (1) ACD
logD 2.59 pH 1; Iwọn otutu: 25 °C (1) ACD
logD 2.57 pH 2; Iwọn otutu: 25 °C (1) ACD
logD 2.45 pH 3; Iwọn otutu: 25 °C (1) ACD
logD 1.92 pH 4; Iwọn otutu: 25 °C (1) ACD
logD 1.01 pH 5; Iwọn otutu: 25 °C (1) ACD
logD 0.05 pH 6; Iwọn otutu: 25 °C (1) ACD
logD -0.76 pH 7; Iwọn otutu: 25 °C (1) ACD
logD -1.10 pH 8; Iwọn otutu: 25 °C (1) ACD
logD -1.15 pH 9; Iwọn otutu: 25 °C (1) ACD
logD -1.16 pH 10; Iwọn otutu: 25 °C (1) ACD
logP 2.591 ± 0.426 Iwọn otutu: 25 °C (1) ACD
Ibi Isolubu Agbekale 4,8 x 10-3 g/L Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 4,8 x 10-3 g/L pH 1; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 5.2 x 10-3 g/L pH 2; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 6,8 x 10-3 g/L pH 3; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.023 g/L pH 4; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.18 g/L pH 5; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 1.7 g/L pH 6; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 11 g/L pH 7; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 23 g/L pH 8; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 27 g/L pH 9; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 27 g/L pH 10; Iwọn otutu: 25 °C (1) ACD
Ibi Solubility 0.032 g/L Omi ti a ko fi silẹ pH 4.18; Iwọn otutu: 25 °C (1) ACD
Solubility Inu inu Molar 1.2 x 10-5 mol/L Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.2 x 10-5 mol/L pH 1; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1.3 x 10-5 mol/L pH 2; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 1,7 x 10-5 mol / L pH 3; Iwọn otutu: 25 °C (1) ACD

 

Ohun ini Iye Ipo Orisun
Solubility Molar 5.7 x 10-5 mol/L pH 4; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.6 x 10-4 mol/L pH 5; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 4.2 x 10-3 mol/L pH 6; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.027 mol/L pH 7; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.059 mol/L pH 8; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.067 mol/L pH 9; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 0.068 mol/L pH 10; Iwọn otutu: 25 °C (1) ACD
Solubility Molar 8.0 x 10-5 mol/L Omi ti a ko fi silẹ pH 4.18; Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 397.43    
pKa 3.84± 0.21 Pupọ Epo otutu: 25 °C (1) ACD
pKa -0,21 ± 0,70 Pupọ Ipilẹ otutu: 25 °C (1) ACD
Oru Ipa 6,01 x 10-19 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)

iwuwo

Ohun ini Iye Ipo Orisun
iwuwo 1,316 ± 0,06 g / cm3 Iwọn otutu: 20 °C; Tẹ: 760 Torr (1) ACD
Iwọn didun Molar 301,8 ± 3,0 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 9   (1) ACD
H Awọn olugba 8   (1) ACD
H Awọn oluranlọwọ 5   (1) ACD
H Oluranlọwọ / Olugba Apapọ 13   (1) ACD
logP 2.591 ± 0.426 Iwọn otutu: 25 °C (1) ACD
Òṣuwọn Molikula 397.43    

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

Ilana Jẹmọ

Ohun ini Iye

Ipo

Orisun
Pola dada Area 131 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 671,5 ± 55,0 °C Tẹ: 760 Torr (1) ACD
Enthalpy ti Vaporization 103.64 ± 3.0 kJ / mol Tẹ: 760 Torr (1) ACD
Oju filaṣi 359,9 ± 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
1H NMR
13C NMR

Alaye ilana

Akojọ ilana: IECSC, TCSI, VNECI Asiri Business Alaye: Gbangba

Awọn Synonyms ilana
Fmoc-L-2-amino-5-ureido-n-valeric acid IECSC

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L-Ornithine, N5- (aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) carbon]- TCSI, VNECI

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Awọn alaye nipasẹ Orilẹ-ede/Ti kariaye & Awọn atokọ Orilẹ-ede miiran / Alaye Agbegbe Wa

China Lakotan

Ipo Iṣura lori IECSC

Iṣakojọpọ Awọn nkan Kemikali ti o wa tẹlẹ ni Ilu China Akojọ Awọn orukọ: Fmoc-L-2-amino-5-ureido-n-valeric acid

Akopọ Taiwan

Oja Ipo lori TCSI Taiwan Government Gesetti

Viet Nam Lakotan

Oja Ipo lori VNECI

Vietnam Draft National Kemikali Oja


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