(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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

C30H46O11 — CID 76961587

IUPAC(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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]1O
InChIInChI=1S/C30H46O11/c1-7-13-33-19-22-24(31)28(38-18-12-6)30(40-22,21-35-15-9-3)41-29-25(32)27(37-17-11-5)26(36-16-10-4)23(39-29)20-34-14-8-2/h7-12,22-29,31-32H,1-6,13-21H2/t22-,23-,24-,25-,26-,27-,28+,29-,30+/m1/s1
InChIKeyUXYPRSLBZRLUTJ-VEPYDLMVSA-N
MW582.69 g/mol
LogP1.87
Rot. Bonds23

About (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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)-4-hydroxy-3-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 76961587) has the molecular formula C30H46O11 and a molecular weight of 582.69 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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)-4-hydroxy-3-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 CID76961587
Molecular FormulaC30H46O11
Molecular Weight582.69 g/mol
Exact Mass582.30
IUPAC Name(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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]1O
InChIInChI=1S/C30H46O11/c1-7-13-33-19-22-24(31)28(38-18-12-6)30(40-22,21-35-15-9-3)41-29-25(32)27(37-17-11-5)26(36-16-10-4)23(39-29)20-34-14-8-2/h7-12,22-29,31-32H,1-6,13-21H2/t22-,23-,24-,25-,26-,27-,28+,29-,30+/m1/s1
InChIKeyUXYPRSLBZRLUTJ-VEPYDLMVSA-N
XLogP1.87
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 51.87
H-Bond Donors ≤ 52
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)-4-hydroxy-3-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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Related Compounds

(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,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
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(2S,3S,4S,5R,6R)-2-phenylmethoxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxane-3,5-diol
CID 102163067
(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane
CID 163409542
(2S,3S,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11263097
(2R,3R,4S,5R,6R)-2-bromo-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 167455087
(2S,3R,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11513699
[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 102251284
(3aR,6R,6aR)-2,2-dimethyl-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11832466
(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 132604145
(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,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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)-4-hydroxy-3-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 76961587) is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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)-4-hydroxy-3-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)-4-hydroxy-3-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]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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 UXYPRSLBZRLUTJ-VEPYDLMVSA-N. The full InChI is InChI=1S/C30H46O11/c1-7-13-33-19-22-24(31)28(38-18-12-6)30(40-22,21-35-15-9-3)41-29-25(32)27(37-17-11-5)26(36-16-10-4)23(39-29)20-34-14-8-2/h7-12,22-29,31-32H,1-6,13-21H2/t22-,23-,24-,25-,26-,27-,28+,29-,30+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-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)-4-hydroxy-3-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 582.69 g/mol, XLogP of 1.87, 23 rotatable bonds, 2 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)-4-hydroxy-3-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 76961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).