Basic information
- Standard SMILES
O=C(N[C@H](CO)CCCO)OCc1ccccc1- InChIKey
QONUZQBHASYEAL-LBPRGKRZSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- (S)-2-N-Cbz-Amino-pentane-1,5-diol
- IUPAC
- benzyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate
- English name
- (S)-2-N-Cbz-amino-pentane-1,5-diol
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29
Names & synonyms
(S)-2-N-Cbz-Amino-pentane-1,5-diol478646-26-3benzyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate(s)-2-n-cbz-aminopentane-1,5-diol(S)-Benzyl (1,5-dihydroxypentan-2-yl)carbamate(S)-benzyl 1,5-dihydroxypentan-2-ylcarbamateSCHEMBL1571205DTXSID30427448benzyl (s)-1,5-dihydroxypentan-2-ylcarbamate(S)-Benzyl(1,5-dihydroxypentan-2-yl)carbamateBenzyl [(2S)-1,5-dihydroxypentan-2-yl]carbamateEN300-12612452
Show more names
REF DUPL: (S)-2-N-Cbz-amino-pentane-1,5-diolCarbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, phenylmethyl esterCarbamic acid, [(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, phenylmethyl ester (9CI)
Database identifiers
- CAS
478646-26-3- PubChem CID
- 7022412
- DTXSID
DTXSID30427448
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 485.2 · 485.2±45.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 11.77 · 11.77±0.46(Predicted)
Chemistry & industry
Suppliers6 total
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
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Linked notes
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