methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate

C12H18O6 — CID 155549652

IUPACmethyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@@H](O)[C@@H]1[C@H](CO)C(=O)OC
InChIInChI=1S/C12H18O6/c1-6-4-8(14)10(9(6)12(16)18-3)7(5-13)11(15)17-2/h7-8,10,13-14H,4-5H2,1-3H3/t7-,8+,10-/m0/s1
InChIKeyKGJPWDRAZODSOK-XKSSXDPKSA-N
MW258.27 g/mol
LogP-0.36
Rot. Bonds4

About methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate

methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate (PubChem CID 155549652) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate
PubChem CID155549652
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Namemethyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@@H](O)[C@@H]1[C@H](CO)C(=O)OC
InChIInChI=1S/C12H18O6/c1-6-4-8(14)10(9(6)12(16)18-3)7(5-13)11(15)17-2/h7-8,10,13-14H,4-5H2,1-3H3/t7-,8+,10-/m0/s1
InChIKeyKGJPWDRAZODSOK-XKSSXDPKSA-N
XLogP-0.36
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate (CID 155549652) is methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate is COC(=O)C1=C(C)C[C@@H](O)[C@@H]1[C@H](CO)C(=O)OC.
What is the InChIKey of methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate?
The InChIKey is KGJPWDRAZODSOK-XKSSXDPKSA-N. The full InChI is InChI=1S/C12H18O6/c1-6-4-8(14)10(9(6)12(16)18-3)7(5-13)11(15)17-2/h7-8,10,13-14H,4-5H2,1-3H3/t7-,8+,10-/m0/s1.
What are the key properties of methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate?
methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4-hydroxy-5-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-2-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 155549652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).