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A-D-Mannose-1-phosphate ammonium salt

CAT: 0926-MM30432-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-MM30432-01Size:5 mg
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CAS Number
1388225-12-4
Smiles
[NH4+].[NH4+].OC[C@H]1O[C@H] (OP (=O) ([O-]) [O-]) [C@@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C6H19O9PN2
Molecular Weight
294.2 g/mol
Controlled
No

Chemical Information

a-D-Mannose-1-phosphate ammonium salt
CAS Number1388225-12-4
PubChem CID154704805
IUPAC Namediazanium;[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
Molecular FormulaC6H19N2O9P
Molecular Weight294.20
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity266
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O.[NH4+].[NH4+]
InChI
InChI=1S/C6H13O9P.2H3N/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);2*1H3/t2-,3-,4+,5+,6-;;/m1../s1
InChIKey
UHJJCHRDMCAMDM-ATVZWOOISA-N
Chemical Structure
2D Structure
2D structure of a-D-Mannose-1-phosphate ammonium salt
CAS: 1388225-12-4
CID: 154704805
Formula: C6H19N2O9P
MW: 294.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight294.20
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass294.08281719
Monoisotopic Mass294.08281719
Topological Polar Surface Area165 Ų
Heavy Atom Count18
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes