6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate

C85H151N5O25 — CID 165065787

About 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate

6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate (PubChem CID 165065787) has the molecular formula C85H151N5O25 and a molecular weight of 1643.15 g/mol. Its IUPAC name is 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate.

Molecular Properties

• Compound Name: 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate
• PubChem CID: 165065787
• Molecular Formula: C85H151N5O25
• Molecular Weight: 1643.15 g/mol
• Exact Mass: 1642.07
• IUPAC Name: 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate
• SMILES: CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.COCCOCCC(=O)NC(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)C(=O)N(CCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)CCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C52H95N5O22.C33H56O3/c1-32-43(65)46(68)36(29-58)77-50(32)74-23-10-6-14-39(61)53-18-9-5-13-35(56-42(64)17-26-73-28-27-72-4)49(71)57(21-19-54-40(62)15-7-11-24-75-51-33(2)44(66)47(69)37(30-59)78-51)22-20-55-41(63)16-8-12-25-76-52-34(3)45(67)48(70)38(31-60)79-52;1-10-14-30(34)35-31-26(6)27(7)32-29(28(31)8)20-22-33(9,36-32)21-13-19-25(5)18-12-17-24(4)16-11-15-23(2)3/h32-38,43-48,50-52,58-60,65-70H,5-31H2,1-4H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64);23-25H,10-22H2,1-9H3/t;24-,25-,33-/m.1/s1
• InChIKey: RXZSBUFAGDREIB-SFOWMXBMSA-N
• XLogP: 6.50
• TPSA: 428.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 55
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.15
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate?

The IUPAC name of 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate (CID 165065787) is 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate.

What is the SMILES notation for 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate?

The canonical SMILES for 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate is CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.COCCOCCC(=O)NC(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)C(=O)N(CCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)CCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate?

The InChIKey is RXZSBUFAGDREIB-SFOWMXBMSA-N. The full InChI is InChI=1S/C52H95N5O22.C33H56O3/c1-32-43(65)46(68)36(29-58)77-50(32)74-23-10-6-14-39(61)53-18-9-5-13-35(56-42(64)17-26-73-28-27-72-4)49(71)57(21-19-54-40(62)15-7-11-24-75-51-33(2)44(66)47(69)37(30-59)78-51)22-20-55-41(63)16-8-12-25-76-52-34(3)45(67)48(70)38(31-60)79-52;1-10-14-30(34)35-31-26(6)27(7)32-29(28(31)8)20-22-33(9,36-32)21-13-19-25(5)18-12-17-24(4)16-11-15-23(2)3/h32-38,43-48,50-52,58-60,65-70H,5-31H2,1-4H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64);23-25H,10-22H2,1-9H3/t;24-,25-,33-/m.1/s1.

What are the key properties of 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate?

6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate has a molecular weight of 1643.15 g/mol, XLogP of 6.50, 55 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N,N-bis[2-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]ethyl]-2-[3-(2-methoxyethoxy)propanoylamino]hexanamide;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] butanoate is sourced from PubChem (CID 165065787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).