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

C6H10O7 — CID 89252286

IUPAC(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1O[C@@H](O)[C@@H](O)C(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-DIYHCVCTSA-N
MW194.14 g/mol
LogP-3.13
Rot. Bonds1

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

(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 89252286) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID89252286
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1O[C@@H](O)[C@@H](O)C(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-DIYHCVCTSA-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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Related Compounds

(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
cyclohexanamine;(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 174768614
(2S,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 91851238
(2R,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 91852879
(2S,4S,5R,6S)-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 58895644
(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162642258
1,2-dichlorobenzene;(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 131964016
(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carbonyl]oxyoxane-2-carboxylic acid
CID 91193706
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 5459352
(2S,4S,5R,6S)-3-amino-4,5,6-trihydroxyoxane-2-carboxylic acid
CID 129100402

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (CID 89252286) is (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is O=C(O)C1O[C@@H](O)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is AEMOLEFTQBMNLQ-DIYHCVCTSA-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 (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
(3S,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 (3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 89252286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).