Basic information
- CAS
17609-52-8- Standard SMILES
O=C(N[C@@H](C(=O)O)c1ccccc1)OCc1ccccc1- InChIKey
RLDJWBVOZVJJOS-CQSZACIVSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- (R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
- IUPAC
- (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
- English name
- Z-D-Phg-OH
- Molecular formula
- C16H15NO4
- Molecular weight
- 285.29
Names & synonyms
EINECS 241-582-8(R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid(R)-[[(phenylmethoxy)carbonyl]amino]phenylacetic acidRefChem:406942benzyloxycarbonyl-d-phenylglycine241-582-817609-52-8Z-D-Phg-OH(R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylacetic acidCbz-D-(-)-PhenylglycineMFCD00021703N-Carbobenzoxy-D-2-phenylglycine
Show more names
Cbz-D-PhgCbz-D-Phg-OHN-CBZ-D-Phg-OHZ-D-PHENYLGLYCINEZ-D-(PHENYL)GLY-OHZ-D-2-PHENYLGLYCINE
Benzeneacetic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, (alphaR)-(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acidSCHEMBL1362502AC-26600CS-0005785EN300-122133N-ALPHA-BENZYLOXYCARBONYL-D-PHENYLGLYCINE(2R)-2-{[(benzyloxy)carbonyl]amino}-2-phenylethanoic acid
Database identifiers
- CAS
17609-52-8- PubChem CID
- 87183
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 130 to · 130.0 to 135.0 °C
- Boiling point
- 495.3 · 495.3±45.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethanol (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 3.49 · 3.49±0.10(Predicted)
- color
- Off-White
- BRN
- 2879381 · 2879381
- Major Application
- peptide synthesis
- InChI
- 1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1
- InChIKey
- RLDJWBVOZVJJOS-CQSZACIVSA-N
- SMILES
- OC(=O)[C@H](NC(=O)OCc1ccccc1)c2ccccc2
- CAS DataBase Reference
- 17609 · 17609-52-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
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 Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [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]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
11 records
Compound notes
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