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115509-85-8 | 1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1R,2R,3R,4R)-
CAS No: 115509-85-8 Catalog No: AG000G44 MDL No:
Product Description
Catalog Number:
AG000G44
Chemical Name:
1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1R,2R,3R,4R)-
CAS Number:
115509-85-8
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
(1R,2R,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
InChI:
InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChI Key:
PHKHGSSZAJVEQK-KVTDHHQDSA-N
SMILES:
OC[C@H]1C[C@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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