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82259-50-5 | D-Allose,6-(dihydrogen phosphate)
CAS No: 82259-50-5 Catalog No: AG005005 MDL No:
Product Description
Catalog Number:
AG005005
Chemical Name:
D-Allose,6-(dihydrogen phosphate)
CAS Number:
82259-50-5
Molecular Formula:
C6H13O8P
Molecular Weight:
244.1364
IUPAC Name:
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
InChI Key:
NBSCHQHZLSJFNQ-IVMDWMLBSA-N
SMILES:
O=C[C@@H]([C@@H]([C@@H]([C@@H](COP(=O)O)O)O)O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
260.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
260.135g/mol
Monoisotopic Mass:
260.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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