benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate

C74H90N2O11 — CID 146709881

About benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate

benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate (PubChem CID 146709881) has the molecular formula C74H90N2O11 and a molecular weight of 1183.54 g/mol. Its IUPAC name is benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate
• PubChem CID: 146709881
• Molecular Formula: C74H90N2O11
• Molecular Weight: 1183.54 g/mol
• Exact Mass: 1182.65
• IUPAC Name: benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate
• SMILES: CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCCNC(=O)OCc1ccccc1
• InChI: InChI=1S/C74H90N2O11/c1-2-66(80-50-59-35-19-11-20-36-59)69(81-51-60-37-21-12-22-38-60)65(76-68(77)47-31-8-6-4-3-5-7-9-32-48-75-74(78)86-55-64-45-29-16-30-46-64)56-85-73-72(84-54-63-43-27-15-28-44-63)71(83-53-62-41-25-14-26-42-62)70(82-52-61-39-23-13-24-40-61)67(87-73)57-79-49-58-33-17-10-18-34-58/h10-30,33-46,65-67,69-73H,2-9,31-32,47-57H2,1H3,(H,75,78)(H,76,77)/t65-,66+,67?,69-,70-,71-,72?,73-/m0/s1
• InChIKey: RBGQVUUTKVQVCY-JXIAEZGASA-N
• XLogP: 14.59
• TPSA: 141.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 40
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.54
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate?

The IUPAC name of benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate (CID 146709881) is benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate.

What is the SMILES notation for benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate?

The canonical SMILES for benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate is CC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCCNC(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate?

The InChIKey is RBGQVUUTKVQVCY-JXIAEZGASA-N. The full InChI is InChI=1S/C74H90N2O11/c1-2-66(80-50-59-35-19-11-20-36-59)69(81-51-60-37-21-12-22-38-60)65(76-68(77)47-31-8-6-4-3-5-7-9-32-48-75-74(78)86-55-64-45-29-16-30-46-64)56-85-73-72(84-54-63-43-27-15-28-44-63)71(83-53-62-41-25-14-26-42-62)70(82-52-61-39-23-13-24-40-61)67(87-73)57-79-49-58-33-17-10-18-34-58/h10-30,33-46,65-67,69-73H,2-9,31-32,47-57H2,1H3,(H,75,78)(H,76,77)/t65-,66+,67?,69-,70-,71-,72?,73-/m0/s1.

What are the key properties of benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate?

benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate has a molecular weight of 1183.54 g/mol, XLogP of 14.59, 40 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[12-[[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-yl]amino]-12-oxododecyl]carbamate is sourced from PubChem (CID 146709881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).