CAS No.141527-78-8,BOC-D-SER-OBZL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141527-78-8
Name:	BOC-D-SER-OBZL
Article Data:	2

Formula:	C₁₅H₂₁NO₅
Molecular Weight:	295.335
Synonyms:	N-tert-Butoxycarbonyl-D-serinebenzyl ester;
EINECS:	1533716-785-6
Density:	1.174 g/cm³
Melting Point:	66-70℃
Boiling Point:	458.846 °C at 760 mmHg
Flash Point:	231.302 °C
PSA:	84.86000
LogP:	2.00630

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Specification

The D-Serine,N-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester, with CAS registry number 141527-78-8, has the systematic name of benzyl N-(tert-butoxycarbonyl)-D-serinate. Besides this, it is also called (R)-benzyl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate. And the chemical formula of this chemical is C₁₅H₂₁NO₅.

Physical properties of D-Serine,N-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 61.03; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 660.27; (8)ACD/KOC (pH 7.4): 659.86; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 84.86 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 76.83 cm³; (15)Molar Volume: 251.5 cm³; (16)Polarizability: 30.46×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Enthalpy of Vaporization: 75.78 kJ/mol; (19)Vapour Pressure: 3.25E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCc1ccccc1
(2)InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1
(3)InChIKey: BQADRZHPZVQGCW-GFCCVEGCBY
(4)Std. InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1
(5)Std. InChIKey: BQADRZHPZVQGCW-GFCCVEGCSA-N