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Home > Fluorides > 131612-92-5
131612-92-5 | D-erythro-2-Pentulose, 1-deoxy-1-fluoro-, 5-(dihydrogen phosphate)
CAS No: 131612-92-5 Catalog No: AG000ZI3 MDL No:
Product Description
Catalog Number:
AG000ZI3
Chemical Name:
D-erythro-2-Pentulose, 1-deoxy-1-fluoro-, 5-(dihydrogen phosphate)
CAS Number:
131612-92-5
Molecular Formula:
C5H10FO6P
Molecular Weight:
216.1015
IUPAC Name:
[(2R,3R)-5-fluoro-2,3-dihydroxy-4-oxopentoxy]-hydroxy-oxophosphanium
InChI:
InChI=1S/C5H8FO6P/c6-1-3(7)5(9)4(8)2-12-13(10)11/h4-5,8-9H,1-2H2/p+1/t4-,5+/m1/s1
InChI Key:
PXZTYHIBKBHQHG-UHNVWZDZSA-O
SMILES:
O[C@@H]([C@H](C(=O)CF)O)COP(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.012g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.093g/mol
Monoisotopic Mass:
215.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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