(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol

C12H20O7 — CID 163106159

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol
SMILESC[C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C[C@H](O)C1
InChIInChI=1S/C12H20O7/c1-12(3-2-6(14)4-12)19-11-10(17)9(16)8(15)7(5-13)18-11/h2-3,6-11,13-17H,4-5H2,1H3/t6-,7+,8-,9-,10+,11-,12-/m0/s1
InChIKeyUFZWDZHJFRAKDR-MQOZHFKUSA-N
MW276.29 g/mol
LogP-2.12
Rot. Bonds3

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol (PubChem CID 163106159) has the molecular formula C12H20O7 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol
PubChem CID163106159
Molecular FormulaC12H20O7
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol
SMILESC[C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C[C@H](O)C1
InChIInChI=1S/C12H20O7/c1-12(3-2-6(14)4-12)19-11-10(17)9(16)8(15)7(5-13)18-11/h2-3,6-11,13-17H,4-5H2,1H3/t6-,7+,8-,9-,10+,11-,12-/m0/s1
InChIKeyUFZWDZHJFRAKDR-MQOZHFKUSA-N
XLogP-2.12
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol (CID 163106159) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol is C[C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C[C@H](O)C1.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol?
The InChIKey is UFZWDZHJFRAKDR-MQOZHFKUSA-N. The full InChI is InChI=1S/C12H20O7/c1-12(3-2-6(14)4-12)19-11-10(17)9(16)8(15)7(5-13)18-11/h2-3,6-11,13-17H,4-5H2,1H3/t6-,7+,8-,9-,10+,11-,12-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol has a molecular weight of 276.29 g/mol, XLogP of -2.12, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(1R,4R)-4-hydroxy-1-methylcyclopent-2-en-1-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 163106159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).