CAS No.979-92-0,5'-DEOXY-S-ADENOSYL-L-HOMOCYSTEINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	979-92-0
Name:	5'-DEOXY-S-ADENOSYL-L-HOMOCYSTEINE
Article Data:	34

Formula:	C₁₄H₂₀N₆O₅S
Molecular Weight:	384.416
Synonyms:	Adenosine,5'-S-(3-amino-3-carboxypropyl)-5'-thio-, L- (8CI);Homocysteine, S-adenosyl-,L- (6CI,7CI);Adenosyl-L-homocysteine;Adenosylhomocysteine;L-S-Adenosylhomocysteine;S-(5'-Adenosyl)-L-homocysteine;S-Adenosylhomocysteine;
EINECS:	213-560-8
Density:	1.912 g/cm³
Melting Point:	209-211 °C
Boiling Point:	787.457 °C at 760 mmHg
Flash Point:	430.038 °C
Solubility:	soluble in hot water, slightly soluble in cold water and ethanol
Appearance:	Colorless cluster crystals
PSA:	207.93000
LogP:	-0.15560

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Specification

The S-Adenosyl-L-homocysteine, with the CAS registry number 979-92-0, is also known as S-(5'-Adenosyl)-L-homocysteine. It belongs to the product categories of Nucleic acids; Amino Acids & Derivatives; Bases & Related Reagents; Carbohydrates & Derivatives; Nucleotides; Sulfur & Selenium Compounds. Its EINECS number is 213-560-8. This chemical's molecular formula is C₁₄H₂₀N₆O₅S and molecular weight is 384.41. What's more, its systematic name is (2S)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid. This chemical is a kind of strong inhibitor in transmethylation reactions. It should be sealed and stored at the temperature of 0 °C. This substance is formed from S-adenosylmethionine after transmethylation reactions.

Physical properties of S-Adenosyl-L-homocysteine are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.06; (4)ACD/LogD (pH 7.4): -3.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 207.93 Å²; (13)Index of Refraction: 1.839; (14)Molar Refractivity: 88.974 cm³; (15)Molar Volume: 201.012 cm³; (16)Polarizability: 35.272×10^-24cm³; (17)Surface Tension: 96.2 dyne/cm; (18)Density: 1.912 g/cm³; (19)Flash Point: 430.038 °C; (20)Enthalpy of Vaporization: 120.147 kJ/mol; (21)Boiling Point: 787.457 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CCSC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O
(2)Std. InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
(3)Std. InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N