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

C33H50O11 — CID 76961591

IUPAC(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol
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]2O)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C33H50O11/c1-8-15-35-22-25-28(38-18-11-4)30(40-20-13-6)27(34)32(42-25)44-33(24-37-17-10-3)31(41-21-14-7)29(39-19-12-5)26(43-33)23-36-16-9-2/h8-14,25-32,34H,1-7,15-24H2/t25-,26-,27-,28-,29-,30-,31+,32-,33+/m1/s1
InChIKeyXLTMJSHOMITHER-SGSVQRLMSA-N
MW622.75 g/mol
LogP3.08
Rot. Bonds26

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

(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol (PubChem CID 76961591) has the molecular formula C33H50O11 and a molecular weight of 622.75 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol
PubChem CID76961591
Molecular FormulaC33H50O11
Molecular Weight622.75 g/mol
Exact Mass622.34
IUPAC Name(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol
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]2O)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C33H50O11/c1-8-15-35-22-25-28(38-18-11-4)30(40-20-13-6)27(34)32(42-25)44-33(24-37-17-10-3)31(41-21-14-7)29(39-19-12-5)26(43-33)23-36-16-9-2/h8-14,25-32,34H,1-7,15-24H2/t25-,26-,27-,28-,29-,30-,31+,32-,33+/m1/s1
InChIKeyXLTMJSHOMITHER-SGSVQRLMSA-N
XLogP3.08
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
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,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol (CID 76961591) is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol 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]2O)[C@@H](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol?
The InChIKey is XLTMJSHOMITHER-SGSVQRLMSA-N. The full InChI is InChI=1S/C33H50O11/c1-8-15-35-22-25-28(38-18-11-4)30(40-20-13-6)27(34)32(42-25)44-33(24-37-17-10-3)31(41-21-14-7)29(39-19-12-5)26(43-33)23-36-16-9-2/h8-14,25-32,34H,1-7,15-24H2/t25-,26-,27-,28-,29-,30-,31+,32-,33+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol?
(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol has a molecular weight of 622.75 g/mol, XLogP of 3.08, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol is sourced from PubChem (CID 76961591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).