CAS 15990-62-2 | D-Glucose, 4-O-β-D-xylo-hexopyranos-3-ulos-1-yl- | CAS Number 15990-62-2

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15990-62-2 | D-Glucose, 4-O-β-D-xylo-hexopyranos-3-ulos-1-yl-

CAS No: 15990-62-2 Catalog No: AG001RIE MDL No:

Product Description

Catalog Number:

AG001RIE

Chemical Name:

D-Glucose, 4-O-β-D-xylo-hexopyranos-3-ulos-1-yl-

CAS Number:

15990-62-2

Molecular Formula:

C12H20O12

Molecular Weight:

356.2800

IUPAC Name:

(2R,3R,4R,5R)-4-[(2S,3S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal

InChI:

InChI=1S/C12H20O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-8,10-12,14-19,21H,2-3H2/t4-,5+,6+,7+,8-,10+,11+,12-/m0/s1

InChI Key:

QVZHZVWYFNADIO-BATPLZQESA-N

SMILES:

OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O[C@@]1(O)O[C@H](CO)[C@@H](C(=O)[C@H]1O)O)O

Properties

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.281g/mol

Monoisotopic Mass:

340.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

194A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.6

Literature

Title	Journal
[Metabolite changes in the greasy tongue coating of patients with chronic gastritis].	Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine 20120701
[Methods for the detection of Agrobacterium from plant, soil and water samples].	Revista Argentina de microbiologia 20110101
Persistence of Agrobacterium tumefaciens in transformed conifers.	Environmental biosafety research 20050101