(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid

C6H10O6 — CID 90671176

IUPAC(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
SMILESCO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3-,4-,6-/m0/s1
InChIKeyZXILWSMTRHULKY-HUTYAEEOSA-N
MW178.14 g/mol
LogP-1.84
Rot. Bonds2

About (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid

(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid (PubChem CID 90671176) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
PubChem CID90671176
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
SMILESCO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3-,4-,6-/m0/s1
InChIKeyZXILWSMTRHULKY-HUTYAEEOSA-N
XLogP-1.84
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ribonolactone
CID 111064
D-Arabinono-1,4-lactone
CID 17723
3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-one
CID 219575
L-arabinono-1,4-lactone
CID 191190
6-Hydroxymethyl-2,2-dimethyl-dihydro-furo(3,4-d)(1,3)dioxol-4-one
CID 500172
D-Xylono-1,4-lactone
CID 439799
2,3-O-Isopropylidene-D-ribonolactone
CID 1268067
L-xylono-1,4-lactone
CID 439873
L-sorbosone furanose form
CID 25203461
GlyTouCan:G82169VM
CID 446683
Methyl beta-D-glucuronide
CID 165220
D-lyxono-1,4-lactone
CID 11829598

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid (CID 90671176) is (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid is CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The InChIKey is ZXILWSMTRHULKY-HUTYAEEOSA-N. The full InChI is InChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3-,4-,6-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
(2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid has a molecular weight of 178.14 g/mol, XLogP of -1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid is sourced from PubChem (CID 90671176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).