methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate

C13H24O7 — CID 159449043

IUPACmethyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate
SMILESCOC(=O)C1O[C@H](OC(C)C)C(O)[C@@H](O)[C@H]1OC(C)C
InChIInChI=1S/C13H24O7/c1-6(2)18-10-8(14)9(15)13(19-7(3)4)20-11(10)12(16)17-5/h6-11,13-15H,1-5H3/t8-,9?,10-,11?,13+/m1/s1
InChIKeyJPIHFSJOWARABK-MHNIQPMQSA-N
MW292.33 g/mol
LogP-0.18
Rot. Bonds5

About methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate

methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate (PubChem CID 159449043) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate
PubChem CID159449043
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Namemethyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate
SMILESCOC(=O)C1O[C@H](OC(C)C)C(O)[C@@H](O)[C@H]1OC(C)C
InChIInChI=1S/C13H24O7/c1-6(2)18-10-8(14)9(15)13(19-7(3)4)20-11(10)12(16)17-5/h6-11,13-15H,1-5H3/t8-,9?,10-,11?,13+/m1/s1
InChIKeyJPIHFSJOWARABK-MHNIQPMQSA-N
XLogP-0.18
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-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 (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate?
The IUPAC name of methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate (CID 159449043) is methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate.
What is the SMILES notation for methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate?
The canonical SMILES for methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate is COC(=O)C1O[C@H](OC(C)C)C(O)[C@@H](O)[C@H]1OC(C)C.
What is the InChIKey of methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate?
The InChIKey is JPIHFSJOWARABK-MHNIQPMQSA-N. The full InChI is InChI=1S/C13H24O7/c1-6(2)18-10-8(14)9(15)13(19-7(3)4)20-11(10)12(16)17-5/h6-11,13-15H,1-5H3/t8-,9?,10-,11?,13+/m1/s1.
What are the key properties of methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate?
methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R,6S)-4,5-dihydroxy-3,6-di(propan-2-yloxy)oxane-2-carboxylate is sourced from PubChem (CID 159449043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).