(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol

C7H16O4 — CID 118099468

IUPAC(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
SMILESCC[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O
InChIInChI=1S/C7H16O4/c1-3-5(9)7(11)6(10)4(2)8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyGMWNLIZILPTDLU-WNJXEPBRSA-N
MW164.20 g/mol
LogP-1.14
Rot. Bonds4

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

(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol (PubChem CID 118099468) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
PubChem CID118099468
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
SMILESCC[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O
InChIInChI=1S/C7H16O4/c1-3-5(9)7(11)6(10)4(2)8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
InChIKeyGMWNLIZILPTDLU-WNJXEPBRSA-N
XLogP-1.14
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
8-methylnonane-3,4,5,6-tetrol
CID 88909679
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319
5-methylheptane-3,4-diol
CID 21486220
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
heptane-2,3,4,5,6-pentol
CID 59809248
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
3-methylhexane-2,4-diol
CID 22245660
(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
CID 10488429

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol (CID 118099468) is (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol is CC[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O.
What is the InChIKey of (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol?
The InChIKey is GMWNLIZILPTDLU-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H16O4/c1-3-5(9)7(11)6(10)4(2)8/h4-11H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol has a molecular weight of 164.20 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-heptane-2,3,4,5-tetrol is sourced from PubChem (CID 118099468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).