Basic information
- CAS
98632-91-8- Standard SMILES
O=C(N[C@@H]1COC1=O)OCc1ccccc1- InChIKey
CWFZPRQDHIUBDO-SECBINFHSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- N-Carbobenzyloxy-D-serine-beta-lactone
- IUPAC
- benzyl N-[(3R)-2-oxooxetan-3-yl]carbamate
- English name
- (R)-benzyl 2-oxooxetan-3-ylcarbamate
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
98632-91-8N-Carbobenzyloxy-D-serine-beta-lactoneDTXSID60333189RefChem:363641DTXCID70284279866-232-7benzyl N-[(3R)-2-oxooxetan-3-yl]carbamateMFCD11519130(R)-BENZYL 2-OXOOXETAN-3-YLCARBAMATE(R)-N-Cbz-3-aminooxetan-2-oneCHEMBL2064167Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, phenylmethyl ester
Show more names
N-Cbz-D-serine-beta-lactoneN-Carbobenzoxy-D-serine β-LactoneN-Carbobenzyloxy-D-serine b-LactoneN-Carbobenzyloxy-D-serine-β-lactoneN-Carbobenzoxy-D-serine beta-LactoneN-Carbobenzyloxy-D-serine beta-LactoneBenzyl [(3R)-2-Oxo-3-oxetanyl]carbamate
BDBM50389008AKOS015998589Carbamic acid, N-[(3R)-2-oxo-3-oxetanyl]-, phenylmethyl esterN-Carbobenzyloxy-D-serine-b-lactoneCarbamic acid, (2-oxo-3-oxetanyl)-, phenylmethyl ester, (R)-; Carbamic acid, [(3R)-2-oxo-3-oxetanyl]-, phenylmethyl ester (9CI); Phenylmethyl N-[(3R)-2-oxo-3-oxetanyl]carbamate; (R)-Benzyl 2-oxooxetan-3-ylcarbamateN-Carbobenzyloxy-D-sbenzyl (R)-(2-oxooxetan-3-yl)carbamateSCHEMBL13054366
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 131 · 131 - 133°C
- Boiling point
- 425.5 · 425.5±44.0 °C(Predicted)
- Density
- 1.31 · 1.31
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Acetone (Slightly), Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Solid
- pka
- 10.32 · 10.32±0.20(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m1/s1
- InChIKey
- CWFZPRQDHIUBDO-SECBINFHSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)N[C@@H]1COC1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers55 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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