(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 — CID 10313506

IUPAC(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O7/c7-2-1-13-6(12,5(10)11)4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4-,6?/m0/s1
InChIKeyAHCUQBDGRGSSEA-DODKAULVSA-N
MW194.14 g/mol
LogP-3.13
Rot. Bonds1

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

(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 10313506) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid
PubChem CID10313506
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O7/c7-2-1-13-6(12,5(10)11)4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4-,6?/m0/s1
InChIKeyAHCUQBDGRGSSEA-DODKAULVSA-N
XLogP-3.13
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid (CID 10313506) is (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid is O=C(O)C1(O)OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is AHCUQBDGRGSSEA-DODKAULVSA-N. The full InChI is InChI=1S/C6H10O7/c7-2-1-13-6(12,5(10)11)4(9)3(2)8/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4-,6?/m0/s1.
What are the key properties of (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid?
(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid has a molecular weight of 194.14 g/mol, XLogP of -3.13, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 10313506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).