CAS No.283160-20-3,(3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[tri(phenyl)methylamino]pentanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	283160-20-3
Name:	(3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[tri(phenyl)methylamino]pentanoic acid

Formula:	C₃₉H₃₄N₂O₅
Molecular Weight:	610.709
Synonyms:	Fmoc-b-homo-Asn(Trt)-OH;Fmoc-β-HoAsn(Trt)-OH;
EINECS:	689-323-1
Density:	1.256g/cm³
Boiling Point:	873.4 °C at 760 mmHg
Flash Point:	482 °C
PSA:	104.73000
LogP:	7.64860

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Specification

The Pentanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxo-5-[(triphenylmethyl)amino]-,(3S)-, with CAS registry number 283160-20-3, belongs to the following product categories: (1)β-Homo Amino Acids; (2)Beta amino acids; (3)Unusual Amino Acids; (4)Amino Acid Derivatives. It has the systematic name of methyl (3S)-3-hydroxypentanoate. This chemical should be stored at the temperature of 2-8°C.

Physical properties of Pentanoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxo-5-[(triphenylmethyl)amino]-,(3S)-: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.62; (4)ACD/LogD (pH 7.4): 4.87; (5)ACD/BCF (pH 5.5): 28982.81; (6)ACD/BCF (pH 7.4): 511.91; (7)ACD/KOC (pH 5.5): 21522.58; (8)ACD/KOC (pH 7.4): 380.14; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 174.29 cm³; (15)Molar Volume: 485.9 cm³; (16)Polarizability: 69.09×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Enthalpy of Vaporization: 132.99 kJ/mol; (19)Vapour Pressure: 1.3E-32 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(c1ccccc1)(c2ccccc2)c3ccccc3)C[C@H](NC(=O)OCC6c4ccccc4c5c6cccc5)CC(=O)O
(2)InChI: InChI=1/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)24-30(25-37(43)44)40-38(45)46-26-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35/h1-23,30,35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t30-/m0/s1
(3)InChIKey: AOQYYASFUBPOHJ-PMERELPUBH
(4)Std. InChI: InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)24-30(25-37(43)44)40-38(45)46-26-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35/h1-23,30,35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t30-/m0/s1
(5)Std. InChIKey: AOQYYASFUBPOHJ-PMERELPUSA-N