methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate

C14H24O6 — CID 134878102

IUPACmethyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate
SMILESCOC(=O)[C@H](C)C[C@H](OC)[C@H]1OC(=O)[C@H](C)C[C@@H]1OC
InChIInChI=1S/C14H24O6/c1-8(13(15)19-5)6-10(17-3)12-11(18-4)7-9(2)14(16)20-12/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12-/m1/s1
InChIKeyADJDNWXCMAQXRN-LDMBFOFVSA-N
MW288.34 g/mol
LogP1.17
Rot. Bonds6

About methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate

methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate (PubChem CID 134878102) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate
PubChem CID134878102
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namemethyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate
SMILESCOC(=O)[C@H](C)C[C@H](OC)[C@H]1OC(=O)[C@H](C)C[C@@H]1OC
InChIInChI=1S/C14H24O6/c1-8(13(15)19-5)6-10(17-3)12-11(18-4)7-9(2)14(16)20-12/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12-/m1/s1
InChIKeyADJDNWXCMAQXRN-LDMBFOFVSA-N
XLogP1.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (3S,5S)-5-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate
CID 162954139
methyl 3-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoate
CID 11761554
methyl 3-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoate
CID 100980847
(4aS,9aS)-4a-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrano[3,2-b]oxepin-2-one
CID 387919
ethyl 4-[(2S,4R,5R,6R)-4,5-dibutoxy-6-(butoxymethyl)oxan-2-yl]-4,4-difluoro-2-methylbutanoate
CID 68026542
4,4-difluoro-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid
CID 89674329
(2R)-4,4-difluoro-2-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoic acid
CID 89674366
ethyl (2R)-4,4-difluoro-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]butanoate
CID 89674435
ethyl (2S)-4,4-difluoro-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]butanoate
CID 89674438
2-[(2R,3R,4S,5S,6R)-2-(acetyloxymethyl)-4,6-bis(carboxymethyl)-5-fluorooxan-3-yl]acetic acid
CID 151461850
dimethyl (2R,4S,6S,8R)-5-hydroxy-4,6-dimethoxy-2,8-dimethylnonanedioate
CID 14240103
Diethyl 2-[(2-acetyloxycyclohexyl)methyl]butanedioate
CID 15569787

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate?
The IUPAC name of methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate (CID 134878102) is methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate.
What is the SMILES notation for methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate?
The canonical SMILES for methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate is COC(=O)[C@H](C)C[C@H](OC)[C@H]1OC(=O)[C@H](C)C[C@@H]1OC.
What is the InChIKey of methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate?
The InChIKey is ADJDNWXCMAQXRN-LDMBFOFVSA-N. The full InChI is InChI=1S/C14H24O6/c1-8(13(15)19-5)6-10(17-3)12-11(18-4)7-9(2)14(16)20-12/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12-/m1/s1.
What are the key properties of methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate?
methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-methoxy-4-[(2S,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2-methylbutanoate is sourced from PubChem (CID 134878102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).