Boc-L-beta-homoglutamic acid 6-benzyl ester supplier

Name
Boc-L-beta-homoglutamic acid 6-benzyl ester
EINECS
CAS No. 218943-30-7
Article Data5
CAS DataBase
Density 1.178 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₅NO₆
Boiling Point 530 °C at 760 mmHg
Molecular Weight 351.4
Flash Point 274.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-6-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-6-oxohexanoic acid;(S)-3-(Boc-amino)adipic acid 6-benzyl ester;Boc-L-β-homoglutamic acid 6-benzyl ester;Boc-L-β-homoglutamic acid(OBzl);Boc-β-Homoglu(OBzl)-OH;
PSA 101.93000
LogP 3.26890

Boc-L-beta-homoglutamic acid 6-benzyl ester Specification

The Boc-L-beta-homoglutamic acid 6-benzyl ester, with the CAS registry number 218943-30-7, has the systematic name of (3S)-6-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-6-oxohexanoic acid. It belongs to the product categories of Beta amino acids and Unusual Amino Acids. The molecular formula of the chemical is C₁₈H₂₅NO₆.

The characteristics of Boc-L-beta-homoglutamic acid 6-benzyl ester are as followings: (1)ACD/LogP:3.28; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.97; (4)ACD/LogD (pH 7.4):0.19; (5)ACD/BCF (pH 5.5):8.91; (6)ACD/BCF (pH 7.4):1; (7)ACD/KOC (pH 5.5):70.64; (8)ACD/KOC (pH 7.4):1.19; (9)#H bond acceptors:7; (10)#H bond donors:2; (11)#Freely Rotating Bonds:11; (12)Polar Surface Area:82.14 Å²; (13)Index of Refraction:1.52; (14)Molar Refractivity:90.76 cm³; (15)Molar Volume:298.1 cm³; (16)Polarizability:35.98×10^-24cm³; (17)Surface Tension:45.2 dyne/cm; (18)Density:1.178 g/cm³; (19)Flash Point:274.4 °C; (20)Enthalpy of Vaporization:84.76 kJ/mol; (21)Boiling Point:530 °C at 760 mmHg; (22)Vapour Pressure:4.6E-12 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](CC(=O)O)CCC(=O)OCc1ccccc1
(2)InChI: InChI=1/C18H25NO6/c1-18(2,3)25-17(23)19-14(11-15(20)21)9-10-16(22)24-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,23)(H,20,21)/t14-/m0/s1
(3)InChIKey: JABNOCWCLLYHKE-AWEZNQCLBB

Product Name

Boc-L-beta-homoglutamic acid 6-benzyl ester

Boc-L-beta-homoglutamic acid 6-benzyl ester Specification

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