CAS No.17609-52-8,Z-D-PHG-OH Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17609-52-8
Name:	Z-D-PHG-OH
Article Data:	37

Formula:	C₁₆H₁₅NO₄
Molecular Weight:	285.299
Synonyms:	Benzeneaceticacid, α-[[(phenylmethoxy)carbonyl]amino]-,(R)-;Glycine, N-carboxy-2-phenyl-, N-benzyl ester, D- (8CI);Benzyloxycarbonyl-D-phenylglycine;Cbz-D-Phg-OH;N-(Carbobenzoxy)-(R)-phenylglycine;N-Benzyloxycarbonyl-D-phenylglycine;N-Benzyloxycarbonyl-D-α-phenylglycine;N-Carbobenzoxy-D-phenylglycine;N-Carbobenzyloxy-D-phenylglycine;Cbz-D-(-)-Phenylglycine;Z-D-phenylglycine;
EINECS:	241-582-8
Density:	1.275 g/cm³
Melting Point:	130.0 to 135.0 °C
Boiling Point:	495.3 ºC at 760 mmHg
Flash Point:	253.4 ºC
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	26
PSA:	75.63000
LogP:	3.12960

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Specification

The Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-,(αR)-, with the CAS registry number 17609-52-8, is also known as Benzyloxycarbonyl-D-phenylglycine. Its EINECS number is 241-582-8. This chemical's molecular formula is C₁₆H₁₅NO₄ and formula weight is 285.29. What's more, its IUPAC name is (2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid. It is harmful if swallowed.

Physical properties of Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-,(αR)- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.99; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 76.49 cm³; (15)Molar Volume: 223.6 cm³; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.275 g/cm³; (18)Flash Point: 253.4 °C; (19)Enthalpy of Vaporization: 80.34 kJ/mol; (20)Boiling Point: 495.3 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=CC=C2)C(=O)O
(3)InChI: 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
(4)InChIKey: RLDJWBVOZVJJOS-CQSZACIVSA-N