CAS No.25899-70-1,XANTHOSINE 5'-MONOPHOSPHATE DISODIUM SALT Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	25899-70-1
Name:	XANTHOSINE 5'-MONOPHOSPHATE DISODIUM SALT

Formula:	C₁₀H₁₁N₄Na₂O₉P
Molecular Weight:	410.17
Synonyms:	XANTHOSINE 5'-MONOPHOSPHATE DISODIUM SALT; Xanthosine 5'-monophosphate disodium salt;
EINECS:	247-324-0
PSA:	215.46000
LogP:	-1.98220

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Specification

This chemical is called 5'-Xanthylic acid, disodium salt, and its CAS registry number is 25899-70-1. With the molecular formula of C₁₀H₁₃N₄Na₂O₉P, its product categories are Pyridines; Pyrimidines; Purines and Pteredines. Additionally, it should be stored at the temperature of 2-8°C, away from oxides.

Other characteristics of the 5'-Xanthylic acid, disodium salt can be summarised as followings: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 162.7 Å².

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC[C@H]3O[C@@H](n1cnc2c1NC(=O)NC2=O)[C@H](O)[C@@H]3O
2.InChI: InChI=1/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
3.InChIKey: QQPVYRBCIRHGSZ-QZORJYQDBT