1L-Epi-2-inosose

CAT: 0926-ME07496-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ME07496-01Size:100 mg

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CAS Number

33471-33-9

MDL Number

MFCD00038395

Smiles

[C@H]1 ([C@H] (C (=O) [C@H] ([C@H] (C1O) O) O) O) O

Molecular Formula

C6H10O6

Molecular Weight

178.14 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

1L-epi-2-Inosose

CAS Number	33471-33-9
PubChem CID	9877530
IUPAC Name	(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
Molecular Formula	C6H10O6
Molecular Weight	178.14
XLogP	-3.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

[C@H]1([C@H](C(=O)[C@H]([C@H](C1O)O)O)O)O

InChI

InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3-,4-,5+/m0/s1

InChIKey

VYEGBDHSGHXOGT-SHRIJZPSSA-N

Chemical Structure

2D Structure

CAS: 33471-33-9

CID: 9877530

Formula: C6H10O6

MW: 178.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.14
XLogP3	-3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	178.04773803
Monoisotopic Mass	178.04773803
Topological Polar Surface Area	118 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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