Basic information
- CAS
58917-85-4- Standard SMILES
O=C(N[C@@H](CO)Cc1ccccc1)OCc1ccccc1- InChIKey
WPOFMMJJCPZPAO-MRXNPFEDSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
- IUPAC
- benzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
- English name
- Cbz-D-Phenylalaninol
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
58917-85-4DTXSID40974418Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidateRefChem:1079474DTXCID901401846CBZ-D-PHENYLALANINOLZ-D-Phenylalaninol(R)-(+)-2-(Cbz-amino)-3-phenyl-1-propanolbenzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamateN-(Carbobenzyloxy)-D-phenylalaninolMFCD00191193CHEMBL164463
Show more names
Z-D-PHE-OLCbz-D-Phe-OLR-228060-002Z-D-PhenylalaninoCbz-D-Phenylalanino(R)-Z-PHENYLALANINOLCbz-d-phenylpropanol
N-Carbobenzoxy-D-phenylalaninolN-Cbz-D-phenylalaninol(R)-(+)-2-(Benzyloxycarbonylamino)-3-phenyl-1-propanolD-PHE-OLN-[(1R)-2-hydroxy-1-benzylethyl](phenylmethoxy)carboxamide(R)-[1-(Hydroxymethyl)-2-phenylethyl]-carbamic Acid Phenylmethyl Ester; [(1R)-1-(Hydroxymethyl)-2-phenylethyl]-carbamic Acid Phenylmethyl Ester; R)-Z-Phenylalaninol; N-Benzyloxycarbonyl-D-phenylalaninolZ-D-Phenylalaninol, 97%benzyl N-[(1R)-1-benzyl-2-hydroxy-ethyl]carbamate
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 92 · 92-95 °C
- alpha
- 30 · 30 º (c=1 in chloroform)
- Boiling point
- 427.77 °C · 427.77°C (rough estimate)
- Density
- 1.0864 · 1.0864 (rough estimate)
- refractive index
- 42 ° · 42 ° (C=2, MeOH)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 11.86 · 11.86±0.46(Predicted)
- color
- White
- optical activity
- 22 · [α]22/D +30°, c = 1 in chloroform
- BRN
- 2221968 · 2221968
- Major Application
- peptide synthesis
- InChI
- 1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
- InChIKey
- WPOFMMJJCPZPAO-MRXNPFEDSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29051990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
UsesZ-D-Phenylalaninol is used in the synthesis of aminophenylpropanyl phosphate derivatives which has pin1 inhibitory activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
苏州启航生物科技有限公司
Related reactions
3 records
Compound notes
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