(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid

C6H10O6 — CID 118088118

IUPAC(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1O[C@@H](O)C[C@@H](O)C1O
InChIInChI=1S/C6H10O6/c7-2-1-3(8)12-5(4(2)9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3-,4?,5?/m1/s1
InChIKeyJMZFHBIADDYOTC-LRVBXBKUSA-N
MW178.14 g/mol
LogP-2.10
Rot. Bonds1

About (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid

(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid (PubChem CID 118088118) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid
PubChem CID118088118
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1O[C@@H](O)C[C@@H](O)C1O
InChIInChI=1S/C6H10O6/c7-2-1-3(8)12-5(4(2)9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3-,4?,5?/m1/s1
InChIKeyJMZFHBIADDYOTC-LRVBXBKUSA-N
XLogP-2.10
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R)-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 59876873
1-[(2S,3S,4R,6R)-3,4,6-trihydroxyoxan-2-yl]ethanone
CID 143417401
(3S,6R)-3,4-dihydroxy-6-methyloxane-2-carboxylic acid
CID 137395580
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
oxane-2,3,4,6-tetrol
CID 123881821
(2S,4R,6R)-oxane-2,3,4,6-tetrol
CID 139552661
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(2S,3S,4R,6R)-6-cyclotridecyloxy-3,4-dihydroxyoxane-2-carboxylic acid
CID 146245851
benzene;oxetane-2,4-diol
CID 175313408
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid (CID 118088118) is (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid is O=C(O)C1O[C@@H](O)C[C@@H](O)C1O.
What is the InChIKey of (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid?
The InChIKey is JMZFHBIADDYOTC-LRVBXBKUSA-N. The full InChI is InChI=1S/C6H10O6/c7-2-1-3(8)12-5(4(2)9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3-,4?,5?/m1/s1.
What are the key properties of (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid?
(4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid has a molecular weight of 178.14 g/mol, XLogP of -2.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-3,4,6-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 118088118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).