(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

C7H10O6 — CID 122706105

IUPAC(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C[C@@](O)(CO)[C@@H](O)C(O)=C1O
InChIInChI=1S/C7H10O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h6,8,10-13H,1-2H2/t6-,7+/m0/s1
InChIKeyLPGZCSYNTZEOIL-NKWVEPMBSA-N
MW190.15 g/mol
LogP-1.63
Rot. Bonds1

About (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 122706105) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID122706105
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C[C@@](O)(CO)[C@@H](O)C(O)=C1O
InChIInChI=1S/C7H10O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h6,8,10-13H,1-2H2/t6-,7+/m0/s1
InChIKeyLPGZCSYNTZEOIL-NKWVEPMBSA-N
XLogP-1.63
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CID 122706105) is (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one is O=C1C[C@@](O)(CO)[C@@H](O)C(O)=C1O.
What is the InChIKey of (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is LPGZCSYNTZEOIL-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H10O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h6,8,10-13H,1-2H2/t6-,7+/m0/s1.
What are the key properties of (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one?
(4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one has a molecular weight of 190.15 g/mol, XLogP of -1.63, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 122706105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).