(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol

C11H18O7 — CID 141064125

IUPAC(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)Cc1ccco1
InChIInChI=1S/C11H18O7/c12-5-8(14)10(16)11(17)9(15)7(13)4-6-2-1-3-18-6/h1-3,7-17H,4-5H2/t7?,8-,9+,10-,11-/m1/s1
InChIKeyUEJPZVWWNKISKU-OXKBGPBOSA-N
MW262.26 g/mol
LogP-2.38
Rot. Bonds7

About (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol

(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol (PubChem CID 141064125) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol
PubChem CID141064125
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)Cc1ccco1
InChIInChI=1S/C11H18O7/c12-5-8(14)10(16)11(17)9(15)7(13)4-6-2-1-3-18-6/h1-3,7-17H,4-5H2/t7?,8-,9+,10-,11-/m1/s1
InChIKeyUEJPZVWWNKISKU-OXKBGPBOSA-N
XLogP-2.38
TPSA134.52 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.26
LogP ≤ 5-2.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)ethane-1,1-diol
CID 156698008
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
furo[3,2-b]furan;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 23619316
(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175779096
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
2-(furan-2-yl)-1-(4-phenylphenyl)ethanol
CID 83172274
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
2-(furan-2-ylmethoxymethyl)furan;propane-1,2,3-triol
CID 174940429
1-(furan-2-yl)hexan-2-ol
CID 83171633
2-(2-ethylbutyl)furan
CID 68844643
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol (CID 141064125) is (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)Cc1ccco1.
What is the InChIKey of (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol?
The InChIKey is UEJPZVWWNKISKU-OXKBGPBOSA-N. The full InChI is InChI=1S/C11H18O7/c12-5-8(14)10(16)11(17)9(15)7(13)4-6-2-1-3-18-6/h1-3,7-17H,4-5H2/t7?,8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol has a molecular weight of 262.26 g/mol, XLogP of -2.38, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-7-(furan-2-yl)heptane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 141064125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).