prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

C38H53NO11 — CID 167667315

About prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (PubChem CID 167667315) has the molecular formula C38H53NO11 and a molecular weight of 699.84 g/mol. Its IUPAC name is prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

Molecular Properties

• Compound Name: prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
• PubChem CID: 167667315
• Molecular Formula: C38H53NO11
• Molecular Weight: 699.84 g/mol
• Exact Mass: 699.36
• IUPAC Name: prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
• SMILES: C=CCOC(=O)NC1C(O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1CCC[C@@H](C)C1O[C@@H]1OC(C)[C@@H](C)[C@H](OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C38H53NO11/c1-5-19-44-38(43)39-30-32(42)31(41)29(20-40)49-36(30)48-28-18-12-13-23(2)33(28)50-37-35(46-22-27-16-10-7-11-17-27)34(24(3)25(4)47-37)45-21-26-14-8-6-9-15-26/h5-11,14-17,23-25,28-37,40-42H,1,12-13,18-22H2,2-4H3,(H,39,43)/t23-,24-,25?,28-,29+,30?,31+,32?,33?,34+,35?,36-,37+/m1/s1
• InChIKey: SVCRRLRTMUQADE-CPCYYBNRSA-N
• XLogP: 3.85
• TPSA: 154.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.84
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The IUPAC name of prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (CID 167667315) is prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

What is the SMILES notation for prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The canonical SMILES for prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is C=CCOC(=O)NC1C(O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1CCC[C@@H](C)C1O[C@@H]1OC(C)[C@@H](C)[C@H](OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The InChIKey is SVCRRLRTMUQADE-CPCYYBNRSA-N. The full InChI is InChI=1S/C38H53NO11/c1-5-19-44-38(43)39-30-32(42)31(41)29(20-40)49-36(30)48-28-18-12-13-23(2)33(28)50-37-35(46-22-27-16-10-7-11-17-27)34(24(3)25(4)47-37)45-21-26-14-8-6-9-15-26/h5-11,14-17,23-25,28-37,40-42H,1,12-13,18-22H2,2-4H3,(H,39,43)/t23-,24-,25?,28-,29+,30?,31+,32?,33?,34+,35?,36-,37+/m1/s1.

What are the key properties of prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate has a molecular weight of 699.84 g/mol, XLogP of 3.85, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl N-[(2R,5R,6S)-2-[(1R,3R)-2-[(2S,4S,5R)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-3-methylcyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 167667315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).