(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H10O7 — CID 90062883

IUPAC(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4+,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-ZGFJKJOTSA-N
MW194.14 g/mol
LogP-3.13
Rot. Bonds1

About (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 90062883) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID90062883
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4+,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-ZGFJKJOTSA-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 (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (CID 90062883) is (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is O=C(O)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is AEMOLEFTQBMNLQ-ZGFJKJOTSA-N. The full InChI is InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4+,6+/m0/s1.
What are the key properties of (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
(2R,3R,4S,5S,6R)-3,4,5,6-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 (2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 90062883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).