(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol

C15H22O4 — CID 14488477

IUPAC(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
SMILESC[C@@]1(CO)C[C@H]2[C@H](O)c3cocc3C[C@](C)(O)[C@H]2C1
InChIInChI=1S/C15H22O4/c1-14(8-16)4-10-12(5-14)15(2,18)3-9-6-19-7-11(9)13(10)17/h6-7,10,12-13,16-18H,3-5,8H2,1-2H3/t10-,12+,13+,14-,15+/m1/s1
InChIKeyLPXNISGTRUGQGS-NZNQWUEYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds1

About (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol

(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol (PubChem CID 14488477) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol.

Molecular Properties

Compound Name(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
PubChem CID14488477
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
SMILESC[C@@]1(CO)C[C@H]2[C@H](O)c3cocc3C[C@](C)(O)[C@H]2C1
InChIInChI=1S/C15H22O4/c1-14(8-16)4-10-12(5-14)15(2,18)3-9-6-19-7-11(9)13(10)17/h6-7,10,12-13,16-18H,3-5,8H2,1-2H3/t10-,12+,13+,14-,15+/m1/s1
InChIKeyLPXNISGTRUGQGS-NZNQWUEYSA-N
XLogP1.64
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol?
The IUPAC name of (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol (CID 14488477) is (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol.
What is the SMILES notation for (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol?
The canonical SMILES for (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol is C[C@@]1(CO)C[C@H]2[C@H](O)c3cocc3C[C@](C)(O)[C@H]2C1.
What is the InChIKey of (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol?
The InChIKey is LPXNISGTRUGQGS-NZNQWUEYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(8-16)4-10-12(5-14)15(2,18)3-9-6-19-7-11(9)13(10)17/h6-7,10,12-13,16-18H,3-5,8H2,1-2H3/t10-,12+,13+,14-,15+/m1/s1.
What are the key properties of (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol?
(5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol has a molecular weight of 266.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,5aS,7R,8aR,9S)-7-(hydroxymethyl)-5,7-dimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol is sourced from PubChem (CID 14488477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).