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D-Mannose-6-phosphate sodium

CAT: 0926-MM06705-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MM06705-01Size:50 mg
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CAS Number
70442-25-0
MDL Number
MFCD00135859
Smiles
C ([C@H] ([C@H] ([C@@H] ([C@@H] (C=O) O) O) O) O) OP (=O) (O) [O-].[Na+]
Molecular Formula
C6H12NaO9P
Molecular Weight
282.12 g/mol
Controlled
No

Chemical Information

Sodium mannose 6-phosphate
CAS Number70442-25-0
PubChem CID23681585
IUPAC Namesodium [(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] hydrogen phosphate
Molecular FormulaC6H12NaO9P
Molecular Weight282.12
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity274
SMILES
C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)OP(=O)(O)[O-].[Na+]
InChI
InChI=1S/C6H13O9P.Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h1,3-6,8-11H,2H2,(H2,12,13,14);/q;+1/p-1/t3-,4-,5-,6-;/m1./s1
InChIKey
OBHLNVXMRZXIII-MVNLRXSJSA-M
Chemical Structure
2D Structure
2D structure of Sodium mannose 6-phosphate
CAS: 70442-25-0
CID: 23681585
Formula: C6H12NaO9P
MW: 282.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.12
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass282.01166324
Monoisotopic Mass282.01166324
Topological Polar Surface Area168 Ų
Heavy Atom Count17
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes