(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C19H30O6 — CID 14729598

IUPAC(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C19H30O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h6-9,15-19H,1-4,10-14H2,5H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyBQYMBCRFFFNQFU-SPOLIRPYSA-N
MW354.44 g/mol
LogP2.27
Rot. Bonds14

About (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 14729598) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID14729598
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Name(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C19H30O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h6-9,15-19H,1-4,10-14H2,5H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyBQYMBCRFFFNQFU-SPOLIRPYSA-N
XLogP2.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
CID 539900
Allyl galactopyranoside
CID 151026
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
CID 124222715
(2R,3R,4S,5R,6R)-2-(Allyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 11020396
Allyl alpha-D-mannopyranoside
CID 11183597
Allyl-beta-D-glucopyranoside
CID 11736138
(2-Methoxy-6-methyl-5-prop-2-enoxy-3-sulfooxyoxan-4-yl) hydrogen sulfate
CID 44291889
(2R,3R,4S,5S,6R)-2-[(2E,8Z)-deca-2,8-dien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 56965053
(2R,3R,4S,5S,6R)-2-deca-2,8-dien-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162868037
alpha-D-Glucopyranose, O-2-propenyl-
CID 10878666
2-(Hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 346062
Ally a-D-galactopyranoside
CID 2735272

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 14729598) is (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is BQYMBCRFFFNQFU-SPOLIRPYSA-N. The full InChI is InChI=1S/C19H30O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h6-9,15-19H,1-4,10-14H2,5H3/t15-,16+,17+,18-,19+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 354.44 g/mol, XLogP of 2.27, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 14729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).