(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol

C32H36O7 — CID 135015981

IUPAC(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)C1OC(OC)C2OC[C@H](OCc3ccccc3)C2(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H36O7/c1-3-26(33)28-29(36-20-24-15-9-5-10-16-24)32(38-21-25-17-11-6-12-18-25)27(22-37-30(32)31(34-2)39-28)35-19-23-13-7-4-8-14-23/h3-18,26-31,33H,1,19-22H2,2H3/t26-,27+,28?,29?,30?,31?,32?/m1/s1
InChIKeyIJKSSCBBAGFHNZ-VCKZDQFCSA-N
MW532.63 g/mol
LogP4.43
Rot. Bonds12

About (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol

(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol (PubChem CID 135015981) has the molecular formula C32H36O7 and a molecular weight of 532.63 g/mol. Its IUPAC name is (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol
PubChem CID135015981
Molecular FormulaC32H36O7
Molecular Weight532.63 g/mol
Exact Mass532.25
IUPAC Name(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)C1OC(OC)C2OC[C@H](OCc3ccccc3)C2(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H36O7/c1-3-26(33)28-29(36-20-24-15-9-5-10-16-24)32(38-21-25-17-11-6-12-18-25)27(22-37-30(32)31(34-2)39-28)35-19-23-13-7-4-8-14-23/h3-18,26-31,33H,1,19-22H2,2H3/t26-,27+,28?,29?,30?,31?,32?/m1/s1
InChIKeyIJKSSCBBAGFHNZ-VCKZDQFCSA-N
XLogP4.43
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-yn-1-ol
CID 132597133
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(3S,3aR,5S,6S,6aS)-5-methoxy-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 25179057
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 90113505
N-[(1R)-1-[(3aS,4S,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enyl]-N-benzylhydroxylamine
CID 101074511
(3S,4S,5R)-5-ethyl-5-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 158000420

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol (CID 135015981) is (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol is C=C[C@@H](O)C1OC(OC)C2OC[C@H](OCc3ccccc3)C2(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol?
The InChIKey is IJKSSCBBAGFHNZ-VCKZDQFCSA-N. The full InChI is InChI=1S/C32H36O7/c1-3-26(33)28-29(36-20-24-15-9-5-10-16-24)32(38-21-25-17-11-6-12-18-25)27(22-37-30(32)31(34-2)39-28)35-19-23-13-7-4-8-14-23/h3-18,26-31,33H,1,19-22H2,2H3/t26-,27+,28?,29?,30?,31?,32?/m1/s1.
What are the key properties of (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol?
(1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol has a molecular weight of 532.63 g/mol, XLogP of 4.43, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]prop-2-en-1-ol is sourced from PubChem (CID 135015981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).