(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C36H54O11 — CID 11115017

IUPAC(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@](COCC=C)(O[C@H]2O[C@H](COCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H]2OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C36H54O11/c1-9-17-37-25-28-30(40-20-12-4)32(42-22-14-6)33(43-23-15-7)35(45-28)47-36(27-39-19-11-3)34(44-24-16-8)31(41-21-13-5)29(46-36)26-38-18-10-2/h9-16,28-35H,1-8,17-27H2/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1
InChIKeyJLMPMMVIIJPWLT-YYEYMFTQSA-N
MW662.82 g/mol
LogP4.29
Rot. Bonds29

About (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 11115017) has the molecular formula C36H54O11 and a molecular weight of 662.82 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID11115017
Molecular FormulaC36H54O11
Molecular Weight662.82 g/mol
Exact Mass662.37
IUPAC Name(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@](COCC=C)(O[C@H]2O[C@H](COCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H]2OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C36H54O11/c1-9-17-37-25-28-30(40-20-12-4)32(42-22-14-6)33(43-23-15-7)35(45-28)47-36(27-39-19-11-3)34(44-24-16-8)31(41-21-13-5)29(46-36)26-38-18-10-2/h9-16,28-35H,1-8,17-27H2/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1
InChIKeyJLMPMMVIIJPWLT-YYEYMFTQSA-N
XLogP4.29
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.82
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane with MolForge

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Related Compounds

Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
CID 539900
allyl(-1)Fruf(b2-1a)Glc
CID 22788161
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(allyloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 7077020
Allyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
CID 11811156
(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 146018800
Allyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside
CID 7091156
(2S,3R,4S,5R,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 10871930
(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 10883420
O-allylated 1,6-anhydro-beta-D-glucopyranose
CID 11448922
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 14630318
2,3,4,5-Tetrakis-(allyloxy)-6-allyloxymethyl-tetrahydro-pyran
CID 18359776
(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(allyloxy)-6-((allyloxy)methyl)tetrahydro-2H-pyran
CID 18392544

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 11115017) is (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@@](COCC=C)(O[C@H]2O[C@H](COCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H]2OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is JLMPMMVIIJPWLT-YYEYMFTQSA-N. The full InChI is InChI=1S/C36H54O11/c1-9-17-37-25-28-30(40-20-12-4)32(42-22-14-6)33(43-23-15-7)35(45-28)47-36(27-39-19-11-3)34(44-24-16-8)31(41-21-13-5)29(46-36)26-38-18-10-2/h9-16,28-35H,1-8,17-27H2/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 662.82 g/mol, XLogP of 4.29, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 11115017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).