(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane

C36H54O11 — CID 10723050

IUPAC(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
SMILESC=CCOC[C@H]1O[C@H](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](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C36H54O11/c1-9-17-37-25-27-29(39-19-11-3)31(41-21-13-5)33(43-23-15-7)35(45-27)47-36-34(44-24-16-8)32(42-22-14-6)30(40-20-12-4)28(46-36)26-38-18-10-2/h9-16,27-36H,1-8,17-26H2/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
InChIKeyURKYDSLKDLCGHO-XPMTUQOHSA-N
MW662.82 g/mol
LogP4.29
Rot. Bonds28

About (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane

(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 10723050) has the molecular formula C36H54O11 and a molecular weight of 662.82 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
PubChem CID10723050
Molecular FormulaC36H54O11
Molecular Weight662.82 g/mol
Exact Mass662.37
IUPAC Name(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
SMILESC=CCOC[C@H]1O[C@H](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](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C36H54O11/c1-9-17-37-25-27-29(39-19-11-3)31(41-21-13-5)33(43-23-15-7)35(45-27)47-36-34(44-24-16-8)32(42-22-14-6)30(40-20-12-4)28(46-36)26-38-18-10-2/h9-16,27-36H,1-8,17-26H2/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
InChIKeyURKYDSLKDLCGHO-XPMTUQOHSA-N
XLogP4.29
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
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)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-2-bromo-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 167455087
(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 132604145
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008
N-[(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-yl]acetamide
CID 146018819
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane
CID 163409542
[(2R,3S,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxan-3-yl] acetate
CID 177424124
[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxan-3-yl] acetate
CID 177417195
(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
(2R,3S,4S,5R,6R)-2-[(1R,2R,3S,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-prop-2-enoxycyclohexyl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11217034
[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101247694
(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
CID 14655276

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane?
The IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane (CID 10723050) is (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane is C=CCOC[C@H]1O[C@H](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](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane?
The InChIKey is URKYDSLKDLCGHO-XPMTUQOHSA-N. The full InChI is InChI=1S/C36H54O11/c1-9-17-37-25-27-29(39-19-11-3)31(41-21-13-5)33(43-23-15-7)35(45-27)47-36-34(44-24-16-8)32(42-22-14-6)30(40-20-12-4)28(46-36)26-38-18-10-2/h9-16,27-36H,1-8,17-26H2/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane?
(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 662.82 g/mol, XLogP of 4.29, 28 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)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 10723050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).