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HCID 6992573Erstellt: 1. November 2026

(2R,3S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

BOC-D-THR(BZL)-OH · NSC 337217 · BOC-D-THR(BZL) · BOC-D-THREONINE(BZL)-OH · BOC-O-BENZYL-D-THREONINE · N-Boc-O-benzyl-D-threonine · N-ALPHA-T-BOC-O-BENZYL-D-THREONINE · (Tert-Butoxy)Carbonyl D-Thr(Bzl)-OH

https://huagongshe.com/de/chemical/6992573

Molekülstruktur von (2R,3S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

Identifikatoren & physikalische Daten

CAS No.	69355-99-3
Summenformel	C16H23NO5
Durchschnittliche Molmasse	309,36 g/mol
Monoisotopische Masse	309,15762284 g/mol
SMILES	C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey	CTXPLTPDOISPTE-WCQYABFASA-N
PubChem CID	6992573
EC No.	858-015-0
DTXSID	DTXSID20912196

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	84,9
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	8
Schwere Atome	22
Formalladung	0
Komplexität	371
Schmelzpunkt	110-117°C
Siedepunkt	461.5±45.0 °C(Predicted)
Dichte	1.152±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand	Solid
pKa (Säurekonstante)	3.50±0.10(Predicted)
Farbe	White to off-white
BRN	7339503
Hauptanwendungen	peptide synthesis
InChI	1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKey	CTXPLTPDOISPTE-WCQYABFASA-N
SMILES	N(C(C(OCc1ccccc1)C)C(=O)O)C(=O)OC(C)(C)C
CAS Datenbank	69355-99-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2924 29 70
Lagerklasse	11 - Combustible Solids

CAS No.

69355-99-3

Summenformel

C16H23NO5

Durchschnittliche Molmasse

309,36 g/mol

Monoisotopische Masse

309,15762284 g/mol

SMILES

C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O

InChIKey

CTXPLTPDOISPTE-WCQYABFASA-N

PubChem CID

6992573

EC No.

858-015-0

DTXSID

DTXSID20912196

Chemische & physikalische Eigenschaften

XLogP

2,3

Polarare Oberfläche (TPSA)

84,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

371

Schmelzpunkt

110-117°C

Siedepunkt

461.5±45.0 °C(Predicted)

Dichte

1.152±0.06 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Aggregatzustand

Solid

pKa (Säurekonstante)

3.50±0.10(Predicted)

Farbe

White to off-white

BRN

7339503

Hauptanwendungen

peptide synthesis

InChI

1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)

InChIKey

CTXPLTPDOISPTE-WCQYABFASA-N

SMILES

N(C(C(OCc1ccccc1)C)C(=O)O)C(=O)OC(C)(C)C

CAS Datenbank

69355-99-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

2924 29 70

Lagerklasse

11 - Combustible Solids