(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol

C7H14O5 — CID 130917775

IUPAC(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
SMILESCOCO[C@H]1CO[C@H](O)[C@@]1(C)O
InChIInChI=1S/C7H14O5/c1-7(9)5(12-4-10-2)3-11-6(7)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyARFPLYJFRMMBIS-ACZMJKKPSA-N
MW178.18 g/mol
LogP-0.92
Rot. Bonds3

About (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol

(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol (PubChem CID 130917775) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
PubChem CID130917775
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
SMILESCOCO[C@H]1CO[C@H](O)[C@@]1(C)O
InChIInChI=1S/C7H14O5/c1-7(9)5(12-4-10-2)3-11-6(7)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyARFPLYJFRMMBIS-ACZMJKKPSA-N
XLogP-0.92
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3,4-bis(methoxymethoxy)oxolan-2-ol
CID 134850656
(3R)-3-(methoxymethoxy)oxolan-2-ol
CID 11423676
3-(methoxymethoxy)cyclopentan-1-ol
CID 91618356
(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118967664
[(1R,2R,6S)-2-(acetyloxymethyl)-2-hydroxy-6-(methoxymethoxy)-1-methylcyclohexyl]methyl acetate
CID 101354324
(1R,3R,4R)-3-ethyl-3-ethynyl-4-(methoxymethoxy)cyclopentan-1-ol
CID 159315257
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
tris(dimethoxymethane);hydron;(3R,6R)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,6R)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159086843
(2R)-1-[(2R,4S,6S)-4-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]butan-2-ol
CID 54753822
(1S,5R,7S,8S)-4-methoxy-7-(methoxymethoxy)-8-methyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3-trimethylsilylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 71499430
cis-(1R,3S)-3-(methoxymethoxy)cyclopentan-1-amine
CID 163636034
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol?
The IUPAC name of (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol (CID 130917775) is (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol.
What is the SMILES notation for (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol?
The canonical SMILES for (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol is COCO[C@H]1CO[C@H](O)[C@@]1(C)O.
What is the InChIKey of (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol?
The InChIKey is ARFPLYJFRMMBIS-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14O5/c1-7(9)5(12-4-10-2)3-11-6(7)8/h5-6,8-9H,3-4H2,1-2H3/t5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol?
(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol has a molecular weight of 178.18 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol is sourced from PubChem (CID 130917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).