-
Name
1-NAPHTHYL-B-D-GLUCURONIDE, SODIUM SALT
- EINECS 280-985-3
- CAS No. 83833-12-9
- Density
- Solubility
- Melting Point
- Formula C16H15NaO7
- Boiling Point
- Molecular Weight 342.28
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 119.28000
- LogP -1.22390
b-D-Glucopyranosiduronic acid, 1-naphthalenyl, monosodiumsalt (9CI) 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
Related Products
- b-D-Glucopyranosiduronic acid, (3b,15a,16a,21b,22a)-15,16,21,22,28-pentahydroxyolean-12-en-3-yl 2-O-b-D-glucopyranosyl- (9CI)
- b-D-Glucopyranosiduronic acid, (3b,15a,16a,22a)-15,16,22,28-tetrahydroxyolean-12-en-3-yl2-O-b-D-glucopyranosyl- (9CI)
- b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl O-b-D-glucopyranosyl-(1®2)-O-b-D-galactopyranosyl-(1®2)-
- b-D-Glucopyranosiduronic acid, 1-naphthalenyl, monosodiumsalt (9CI)
- b-D-Glucopyranosiduronic acid,[(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl]methyl
- b-D-Glucopyranosiduronic acid,3-[2-(acetylamino)ethyl]-1H-indol-5-yl
- b-D-Glucopyranosiduronic acid,4-methylphenyl
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