CAS No.269066-08-2,FMOC-ASP(ODMAB)-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	269066-08-2
Name:	FMOC-ASP(ODMAB)-OH

Formula:	C₃₉H₄₂N₂O₈
Molecular Weight:	666.771
Synonyms:	Fmoc-Asp(ODmab)-OH;
Density:	1.264 g/cm³
Boiling Point:	841.004 °C at 760 mmHg
Flash Point:	462.422 °C
PSA:	148.10000
LogP:	7.24600

Total:33 Page 1 of 1 1

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Specification

The N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic acid 4-[[4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] ester, with cas registry number 269066-08-2, belongs to the following product categories: amino acid. It has the systematic name of (2S)-4-[[4-[[1-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-3-methyl-butyl]amino]phenyl]methoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 6.60; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.232; (4)ACD/LogD (pH 7.4): 2.961; (5)ACD/BCF (pH 5.5): 262.085; (6)ACD/BCF (pH 7.4): 14.027; (7)ACD/KOC (pH 5.5): 398.094; (8)ACD/KOC (pH 7.4): 21.307; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 148.1 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 182.325 cm³; (15)Molar Volume: 527.475 cm³; (16)Polarizability: 72.279×10^-24cm³; (17)Surface Tension: 55.362 dyne/cm; (18)Enthalpy of Vaporization: 128.085 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CC(=C1C(=O)CC(CC1=O)(C)C)Nc2ccc(cc2)COC(=O)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5
(2)InChI: InChI=1/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-35(44)18-32(37(45)46)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,40H,17-22H2,1-4H3,(H,41,47)(H,45,46)/t32-/m0/s1
(3)InChIKey: FLMMHDDOOIGEPG-YTTGMZPUBI
(4)Std. InChI: InChI=1S/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-35(44)18-32(37(45)46)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,40H,17-22H2,1-4H3,(H,41,47)(H,45,46)/t32-/m0/s1
(5)Std. InChIKey: FLMMHDDOOIGEPG-YTTGMZPUSA-N