(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid

C6H12O6 — CID 5459874

IUPAC(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m1/s1
InChIKeyNBFWIISVIFCMDK-MGCNEYSASA-N
MW180.16 g/mol
LogP-2.47
Rot. Bonds4

About (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid (PubChem CID 5459874) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
PubChem CID5459874
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
SMILESC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m1/s1
InChIKeyNBFWIISVIFCMDK-MGCNEYSASA-N
XLogP-2.47
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
CID 88571219

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid (CID 5459874) is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid is C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid?
The InChIKey is NBFWIISVIFCMDK-MGCNEYSASA-N. The full InChI is InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid?
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid has a molecular weight of 180.16 g/mol, XLogP of -2.47, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid is sourced from PubChem (CID 5459874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).