dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate

C12H22O8 — CID 59866878

IUPACdimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate
SMILESCOC(=O)[C@@H](OC)[C@H](OC)[C@H](OC)[C@@H](OC)C(=O)OC
InChIInChI=1S/C12H22O8/c1-15-7(9(17-3)11(13)19-5)8(16-2)10(18-4)12(14)20-6/h7-10H,1-6H3/t7-,8+,9+,10-
InChIKeySKNSJNLGVRGJHQ-FIRGSJFUSA-N
MW294.30 g/mol
LogP-0.61
Rot. Bonds9

About dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate

dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate (PubChem CID 59866878) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate.

Molecular Properties

Compound Namedimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate
PubChem CID59866878
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Namedimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate
SMILESCOC(=O)[C@@H](OC)[C@H](OC)[C@H](OC)[C@@H](OC)C(=O)OC
InChIInChI=1S/C12H22O8/c1-15-7(9(17-3)11(13)19-5)8(16-2)10(18-4)12(14)20-6/h7-10H,1-6H3/t7-,8+,9+,10-
InChIKeySKNSJNLGVRGJHQ-FIRGSJFUSA-N
XLogP-0.61
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
dipropyl 2,3-dimethoxybutanedioate
CID 139989452
methyl 2,2-dicyanoacetate
CID 10931428
methyl (2S,3S)-2-iodo-3-methoxy-4-methylpentanoate
CID 101058369
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
CID 11370186
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl 3-cyano-2-methoxypropanoate
CID 558532
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
dimethyl 2-(5,5-dimethylhexa-2,3-dienyl)propanedioate
CID 101474895
methyl (3R)-3-(cyanomethyl)-2-dimethylsilyloxy-4,4-dimethylpentanoate
CID 173412976

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate?
The IUPAC name of dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate (CID 59866878) is dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate.
What is the SMILES notation for dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate?
The canonical SMILES for dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate is COC(=O)[C@@H](OC)[C@H](OC)[C@H](OC)[C@@H](OC)C(=O)OC.
What is the InChIKey of dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate?
The InChIKey is SKNSJNLGVRGJHQ-FIRGSJFUSA-N. The full InChI is InChI=1S/C12H22O8/c1-15-7(9(17-3)11(13)19-5)8(16-2)10(18-4)12(14)20-6/h7-10H,1-6H3/t7-,8+,9+,10-.
What are the key properties of dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate?
dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate has a molecular weight of 294.30 g/mol, XLogP of -0.61, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate is sourced from PubChem (CID 59866878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).