(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol

C7H16O5 — CID 118101621

IUPAC(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
SMILESCC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O5/c1-2-4(9)6(11)7(12)5(10)3-8/h4-12H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyHUYORHVLGRMTGF-BNHYGAARSA-N
MW180.20 g/mol
LogP-2.17
Rot. Bonds5

About (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol

(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol (PubChem CID 118101621) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
PubChem CID118101621
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
SMILESCC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O5/c1-2-4(9)6(11)7(12)5(10)3-8/h4-12H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyHUYORHVLGRMTGF-BNHYGAARSA-N
XLogP-2.17
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol with MolForge

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Related Compounds

heptane-1,2,3,4,5-pentol
CID 21365644
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol (CID 118101621) is (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol is CC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol?
The InChIKey is HUYORHVLGRMTGF-BNHYGAARSA-N. The full InChI is InChI=1S/C7H16O5/c1-2-4(9)6(11)7(12)5(10)3-8/h4-12H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol?
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol has a molecular weight of 180.20 g/mol, XLogP of -2.17, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol is sourced from PubChem (CID 118101621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).