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

C6H14O4 — CID 92527383

IUPAC(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-3(7)5(9)6(10)4(2)8/h3-10H,1-2H3/t3-,4+,5-,6-/m0/s1
InChIKeyTZQPAZWGRJYTLN-FSIIMWSLSA-N
MW150.17 g/mol
LogP-1.53
Rot. Bonds3

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

(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol (PubChem CID 92527383) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
PubChem CID92527383
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-3(7)5(9)6(10)4(2)8/h3-10H,1-2H3/t3-,4+,5-,6-/m0/s1
InChIKeyTZQPAZWGRJYTLN-FSIIMWSLSA-N
XLogP-1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
(3R)-4-methylpentane-2,3-diol
CID 59911125
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
(3R,4R)-4-iodopentane-2,3-diol
CID 134993027
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol (CID 92527383) is (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol?
The InChIKey is TZQPAZWGRJYTLN-FSIIMWSLSA-N. The full InChI is InChI=1S/C6H14O4/c1-3(7)5(9)6(10)4(2)8/h3-10H,1-2H3/t3-,4+,5-,6-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol?
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol has a molecular weight of 150.17 g/mol, XLogP of -1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-hexane-2,3,4,5-tetrol is sourced from PubChem (CID 92527383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).