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144938-80-7 | 1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1S,2R,3S,4S)-
CAS No: 144938-80-7 Catalog No: AG001KD9 MDL No:
Product Description
Catalog Number:
AG001KD9
Chemical Name:
1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1S,2R,3S,4S)-
CAS Number:
144938-80-7
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
(1S,2R,3S,4S)-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+/m0/s1
InChI Key:
PHKHGSSZAJVEQK-OMMKOOBNSA-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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