(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one

C9H12O6 — CID 134943674

IUPAC(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)[C@H](O)[C@@]1(O)CO
InChIInChI=1S/C9H12O6/c10-5-8(13)6(11)1-2-9(7(8)12)14-3-4-15-9/h1-2,7,10,12-13H,3-5H2/t7-,8-/m1/s1
InChIKeyDSOHAQPYTPJCRZ-HTQZYQBOSA-N
MW216.19 g/mol
LogP-2.05
Rot. Bonds1

About (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one

(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 134943674) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID134943674
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)[C@H](O)[C@@]1(O)CO
InChIInChI=1S/C9H12O6/c10-5-8(13)6(11)1-2-9(7(8)12)14-3-4-15-9/h1-2,7,10,12-13H,3-5H2/t7-,8-/m1/s1
InChIKeyDSOHAQPYTPJCRZ-HTQZYQBOSA-N
XLogP-2.05
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one
CID 101250334
(3aS,4R,7aS)-4-but-3-en-1-ynyl-4-hydroxy-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-one
CID 139179107
(3aS,4R,7aR)-4-hydroxy-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 639202
(3aR,4S,7aS)-4-hydroxy-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 22298113
(3aR,4S,7aS)-4-hydroxy-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 131060408
methyl (3aS,7aS)-4,5-dihydroxy-2,2-dimethyl-5,7a-dihydro-3aH-1,3-benzodioxole-4-carboxylate
CID 10514411
(4S,5S,6R)-4,6-dihydroxy-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one
CID 11195019
methyl (3aS,4R,5R,7aR)-4,5-dihydroxy-2,2-dimethyl-5,7a-dihydro-4H-1,3-benzodioxole-3a-carboxylate
CID 11276593
(2S,3S,4aS,5S,8aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-prop-2-enyl-4a,8a-dihydro-1,4-benzodioxin-6-one
CID 11437976
3-Hydroxy-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
CID 12238189
[(6R,7S)-7-hydroxy-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] acetate
CID 16107963
4-Ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
CID 45095068

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 134943674) is (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one is O=C1C=CC2(OCCO2)[C@H](O)[C@@]1(O)CO.
What is the InChIKey of (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is DSOHAQPYTPJCRZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12O6/c10-5-8(13)6(11)1-2-9(7(8)12)14-3-4-15-9/h1-2,7,10,12-13H,3-5H2/t7-,8-/m1/s1.
What are the key properties of (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one?
(6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 216.19 g/mol, XLogP of -2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6,7-dihydroxy-7-(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 134943674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).