D-Glucitol-2-d

CAT: 0024-sc-490898Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490898Size:25 mg

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CAS Number

75607-68-0

Chemical Information

D-Glucitol-2-d

CAS Number	75607-68-0
PubChem CID	131668352
IUPAC Name	(2R,3R,4R,5R)-2-deuteriohexane-1,2,3,4,5,6-hexol
Molecular Formula	C6H14O6
Molecular Weight	183.18
XLogP	-3.1
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	105

SMILES

[2H][C@@](CO)([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1/i3D

InChIKey

FBPFZTCFMRRESA-JNHZOBAGSA-N

Chemical Structure

2D Structure

CAS: 75607-68-0

CID: 131668352

Formula: C6H14O6

MW: 183.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	183.18
XLogP3	-3.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	183.08531491
Monoisotopic Mass	183.08531491
Topological Polar Surface Area	121 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	105
Isotope Atom Count	1
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes