D-Idose, Aqueous solution

CAT: 0926-MI06618-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-MI06618-02Size:100 mg

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CAS Number

5978-95-0

MDL Number

MFCD00069824

Smiles

OCC1OC (O) C (O) [C@@H] (O) [C@H]1O

Molecular Formula

C6H12O6

Molecular Weight

180.16 g/mol

Controlled

Chemical Information

D-Idose

Aldehydo-D-idose is the open chain form of D-idose. It is an enantiomer of an aldehydo-L-idose.

CAS Number	5978-95-0
PubChem CID	111123
IUPAC Name	(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
Molecular Formula	C6H12O6
Molecular Weight	180.16
XLogP	-2.9
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	138

SMILES

C([C@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O)O

InChI

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6+/m1/s1

InChIKey

GZCGUPFRVQAUEE-ZXXMMSQZSA-N

Chemical Structure

2D Structure

CAS: 5978-95-0

CID: 111123

Formula: C6H12O6

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	-2.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	180.06338810
Monoisotopic Mass	180.06338810
Topological Polar Surface Area	118 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	138
Isotope Atom Count	0
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

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