(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid

C7H14O6 — CID 88571219

IUPAC(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
SMILESCO[C@@H]([C@H](O)[C@@H](O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H14O6/c1-3(8)6(13-2)4(9)5(10)7(11)12/h3-6,8-10H,1-2H3,(H,11,12)/t3-,4-,5-,6-/m1/s1
InChIKeyYNCVKSYXMXTXOH-KVTDHHQDSA-N
MW194.18 g/mol
LogP-1.81
Rot. Bonds5

About (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid

(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid (PubChem CID 88571219) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
PubChem CID88571219
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
SMILESCO[C@@H]([C@H](O)[C@@H](O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H14O6/c1-3(8)6(13-2)4(9)5(10)7(11)12/h3-6,8-10H,1-2H3,(H,11,12)/t3-,4-,5-,6-/m1/s1
InChIKeyYNCVKSYXMXTXOH-KVTDHHQDSA-N
XLogP-1.81
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid with MolForge

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,4-dihydroxy-3,5,6-trimethoxyhexanoic acid
CID 25209635
(2S,3R,4S,5R)-2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid
CID 87205204
2,3-dihydroxy-4,5-dimethoxypentanoic acid
CID 22664319
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
(2S,3R,4R,5R)-2-hydroxy-3,4,5-trimethoxy-6-oxohexanoic acid
CID 162952592

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid?
The IUPAC name of (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid (CID 88571219) is (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid.
What is the SMILES notation for (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid?
The canonical SMILES for (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid is CO[C@@H]([C@H](O)[C@@H](O)C(=O)O)[C@@H](C)O.
What is the InChIKey of (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid?
The InChIKey is YNCVKSYXMXTXOH-KVTDHHQDSA-N. The full InChI is InChI=1S/C7H14O6/c1-3(8)6(13-2)4(9)5(10)7(11)12/h3-6,8-10H,1-2H3,(H,11,12)/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid?
(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid has a molecular weight of 194.18 g/mol, XLogP of -1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid is sourced from PubChem (CID 88571219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).