(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid

C11H18O7 — CID 162657898

IUPAC(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H](CO)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1C(=O)O
InChIInChI=1S/C11H18O7/c1-11(17)3-6(13)7(8(11)9(14)15)5(4-12)10(16)18-2/h5-8,12-13,17H,3-4H2,1-2H3,(H,14,15)/t5-,6+,7-,8+,11-/m0/s1
InChIKeyXQVHPQAJEPQJQP-GMKFNJPYSA-N
MW262.26 g/mol
LogP-1.40
Rot. Bonds4

About (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid

(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid (PubChem CID 162657898) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid
PubChem CID162657898
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H](CO)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1C(=O)O
InChIInChI=1S/C11H18O7/c1-11(17)3-6(13)7(8(11)9(14)15)5(4-12)10(16)18-2/h5-8,12-13,17H,3-4H2,1-2H3,(H,14,15)/t5-,6+,7-,8+,11-/m0/s1
InChIKeyXQVHPQAJEPQJQP-GMKFNJPYSA-N
XLogP-1.40
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid (CID 162657898) is (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid is COC(=O)[C@@H](CO)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1C(=O)O.
What is the InChIKey of (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is XQVHPQAJEPQJQP-GMKFNJPYSA-N. The full InChI is InChI=1S/C11H18O7/c1-11(17)3-6(13)7(8(11)9(14)15)5(4-12)10(16)18-2/h5-8,12-13,17H,3-4H2,1-2H3,(H,14,15)/t5-,6+,7-,8+,11-/m0/s1.
What are the key properties of (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid?
(1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-2,4-dihydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 162657898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).