cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one

C6H10O6 — CID 58392006

IUPACcis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
SMILESO=C1C(O)[C@H](O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3?,4?,5+/m1/s1
InChIKeyVYEGBDHSGHXOGT-LAUXEEOCSA-N
MW178.14 g/mol
LogP-3.63
Rot. Bonds

About cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one

cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one (PubChem CID 58392006) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
PubChem CID58392006
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Namecis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one
SMILESO=C1C(O)[C@H](O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3?,4?,5+/m1/s1
InChIKeyVYEGBDHSGHXOGT-LAUXEEOCSA-N
XLogP-3.63
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one?
The IUPAC name of cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one (CID 58392006) is cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one.
What is the SMILES notation for cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one?
The canonical SMILES for cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one is O=C1C(O)[C@H](O)C(O)C(O)[C@@H]1O.
What is the InChIKey of cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one?
The InChIKey is VYEGBDHSGHXOGT-LAUXEEOCSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1?,2-,3?,4?,5+/m1/s1.
What are the key properties of cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one?
cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one has a molecular weight of 178.14 g/mol, XLogP of -3.63, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-2,3,4,5,6-pentahydroxycyclohexan-1-one is sourced from PubChem (CID 58392006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).