Valibose

CAT: 0013-GTR19196215-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19196215-01Size:25 mg

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Description

Valibose

CAS Number

83470-79-5

Field of Research

Metabolism Research

Smiles

N (C (CO) CO) [C@H]1C[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O

Molecular Formula

C10H21NO6

Molecular Weight

251.28

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Valibose

CAS Number	83470-79-5
PubChem CID	11630203
IUPAC Name	(1R,2S,3S,4S,6R)-4-(1,3-dihydroxypropan-2-ylamino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Molecular Formula	C10H21NO6
Molecular Weight	251.28
XLogP	-3
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	225

SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1NC(CO)CO)O)O)O)CO

InChI

InChI=1S/C10H21NO6/c12-2-5-1-7(11-6(3-13)4-14)9(16)10(17)8(5)15/h5-17H,1-4H2/t5-,7+,8-,9+,10+/m1/s1

InChIKey

LWJUMCBIHCZWBT-JTBFQXKRSA-N

Chemical Structure

2D Structure

CAS: 83470-79-5

CID: 11630203

Formula: C10H21NO6

MW: 251.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.28
XLogP3	-3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	251.13688739
Monoisotopic Mass	251.13688739
Topological Polar Surface Area	133 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5778748	Valibose