[(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate

C36H66N2O9 — CID 59445434

About [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate

[(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate (PubChem CID 59445434) has the molecular formula C36H66N2O9 and a molecular weight of 670.93 g/mol. Its IUPAC name is [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate
• PubChem CID: 59445434
• Molecular Formula: C36H66N2O9
• Molecular Weight: 670.93 g/mol
• Exact Mass: 670.48
• IUPAC Name: [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate
• SMILES: CC(=O)NCNC(=O)OC1[C@H](OCC2O[C@@H](OC(C)C)C(C)[C@@H](C)[C@H]2C)OC(CO[C@@H]2OC(CC(C)C)[C@H](C)[C@H](C)C2C)[C@H](C)[C@@H]1C
• InChI: InChI=1S/C36H66N2O9/c1-18(2)14-29-22(7)20(5)26(11)33(44-29)41-15-31-24(9)25(10)32(47-36(40)38-17-37-28(13)39)35(46-31)42-16-30-23(8)21(6)27(12)34(45-30)43-19(3)4/h18-27,29-35H,14-17H2,1-13H3,(H,37,39)(H,38,40)/t20-,21-,22+,23+,24+,25-,26?,27?,29?,30?,31?,32?,33+,34+,35+/m0/s1
• InChIKey: ZTWWLBLYWGWTOF-KLWWBBMZSA-N
• XLogP: 5.94
• TPSA: 122.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.93
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate?

The IUPAC name of [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate (CID 59445434) is [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate.

What is the SMILES notation for [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate?

The canonical SMILES for [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate is CC(=O)NCNC(=O)OC1[C@H](OCC2O[C@@H](OC(C)C)C(C)[C@@H](C)[C@H]2C)OC(CO[C@@H]2OC(CC(C)C)[C@H](C)[C@H](C)C2C)[C@H](C)[C@@H]1C.

What is the InChIKey of [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate?

The InChIKey is ZTWWLBLYWGWTOF-KLWWBBMZSA-N. The full InChI is InChI=1S/C36H66N2O9/c1-18(2)14-29-22(7)20(5)26(11)33(44-29)41-15-31-24(9)25(10)32(47-36(40)38-17-37-28(13)39)35(46-31)42-16-30-23(8)21(6)27(12)34(45-30)43-19(3)4/h18-27,29-35H,14-17H2,1-13H3,(H,37,39)(H,38,40)/t20-,21-,22+,23+,24+,25-,26?,27?,29?,30?,31?,32?,33+,34+,35+/m0/s1.

What are the key properties of [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate?

[(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate has a molecular weight of 670.93 g/mol, XLogP of 5.94, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-4,5-dimethyl-6-[[(2R,4S,5R)-3,4,5-trimethyl-6-(2-methylpropyl)oxan-2-yl]oxymethyl]-2-[[(3R,4S,6R)-3,4,5-trimethyl-6-propan-2-yloxyoxan-2-yl]methoxy]oxan-3-yl] N-(acetamidomethyl)carbamate is sourced from PubChem (CID 59445434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).