CAS No.83833-12-9,1-NAPHTHYL-B-D-GLUCURONIDE, SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83833-12-9
Name:	1-NAPHTHYL-B-D-GLUCURONIDE, SODIUM SALT

Formula:	C₁₆H₁₅NaO₇
Molecular Weight:	342.28
Synonyms:	1-Naphthylglucosiduronic acid sodium salt;sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1-naphthyloxy)tetrahydropyran-2-carboxylate;1-Naphthyl-b-d-glucuronide, sodium salt;
EINECS:	280-985-3
PSA:	119.28000
LogP:	-1.22390

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Specification

The b-D-Glucopyranosiduronic acid, 1-naphthalenyl, monosodiumsalt (9CI), with the CAS registry number 83833-12-9 and EINECS registry number 280-985-3, has the systematic name of sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1-naphthyloxy)tetrahydropyran-2-carboxylate. It belongs to the product category of Substrates. And the molecular formula of the chemical is C₁₆H₁₅NaO₇.

The characteristics of b-D-Glucopyranosiduronic acid, 1-naphthalenyl, monosodiumsalt (9CI) are as followings: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 3; (4)Exact Mass: 342.071548; (5)MonoIsotopic Mass: 342.071548; (6)Topological Polar Surface Area: 119; (7)Heavy Atom Count: 24; (8)Formal Charge: 0; (9)Complexity: 435; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 5; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)cccc2OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]
(2)InChI: InChI=1/C16H16O7.Na/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11-14,16-19H,(H,20,21);/q;+1/p-1/t11-,12-,13+,14-,16+;/m0./s1
(3)InChIKey: NYYIXWAJCYTTOL-BOTFFQPCBX