methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate

C7H12O6 — CID 11975750

IUPACmethyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate
SMILESCOC(=O)[C@@]1(O)[C@H](C)OC(O)[C@H]1O
InChIInChI=1S/C7H12O6/c1-3-7(11,6(10)12-2)4(8)5(9)13-3/h3-5,8-9,11H,1-2H3/t3-,4+,5?,7+/m0/s1
InChIKeyNAFZMWAMQMOJED-UUDSXGNVSA-N
MW192.17 g/mol
LogP-2.01
Rot. Bonds1

About methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate

methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate (PubChem CID 11975750) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate
PubChem CID11975750
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Namemethyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate
SMILESCOC(=O)[C@@]1(O)[C@H](C)OC(O)[C@H]1O
InChIInChI=1S/C7H12O6/c1-3-7(11,6(10)12-2)4(8)5(9)13-3/h3-5,8-9,11H,1-2H3/t3-,4+,5?,7+/m0/s1
InChIKeyNAFZMWAMQMOJED-UUDSXGNVSA-N
XLogP-2.01
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
1-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolan-3-yl]ethanone
CID 57152401
1-[(2R,3S,5S,6S)-1,2,3,4,5,6-hexahydroxycyclohexyl]ethanone
CID 139696884
(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
CID 70871295
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
CID 143865006
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
dimethyl (1R,3R,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarboxylate
CID 98156668
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
dimethyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylate
CID 3519401
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749
dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
CID 24754702
dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate?
The IUPAC name of methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate (CID 11975750) is methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate?
The canonical SMILES for methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate is COC(=O)[C@@]1(O)[C@H](C)OC(O)[C@H]1O.
What is the InChIKey of methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate?
The InChIKey is NAFZMWAMQMOJED-UUDSXGNVSA-N. The full InChI is InChI=1S/C7H12O6/c1-3-7(11,6(10)12-2)4(8)5(9)13-3/h3-5,8-9,11H,1-2H3/t3-,4+,5?,7+/m0/s1.
What are the key properties of methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate?
methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate has a molecular weight of 192.17 g/mol, XLogP of -2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4S)-3,4,5-trihydroxy-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 11975750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).