2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate

C59H115N9O33 — CID 177103577

About 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate

2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate (PubChem CID 177103577) has the molecular formula C59H115N9O33 and a molecular weight of 1478.60 g/mol. Its IUPAC name is 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate
• PubChem CID: 177103577
• Molecular Formula: C59H115N9O33
• Molecular Weight: 1478.60 g/mol
• Exact Mass: 1477.76
• IUPAC Name: 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate
• SMILES: CNCCOCCOCCOCCC(=O)N(C)CC(=O)N(C)C(CCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NCCOCCOCCOC(=O)N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C59H115N9O33/c1-60-10-14-97-17-20-99-19-16-96-13-9-46(82)63(3)31-49(85)66(6)36(8-7-12-67(24-37(73)50(86)54(90)41(77)32-69)25-38(74)51(87)55(91)42(78)33-70)58(94)65(5)30-48(84)64(4)29-47(83)62(2)28-45(81)61-11-15-98-18-21-100-22-23-101-59(95)68(26-39(75)52(88)56(92)43(79)34-71)27-40(76)53(89)57(93)44(80)35-72/h36-44,50-57,60,69-80,86-93H,7-35H2,1-6H3,(H,61,81)/t36?,37-,38-,39-,40-,41+,42+,43+,44+,50+,51+,52+,53+,54+,55+,56+,57+/m0/s1
• InChIKey: DYNYXBNHDSDZRB-ARGDGPJISA-N
• XLogP: -15.28
• TPSA: 626.21 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 35
• Rotatable Bonds: 59
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.60
LogP ≤ 5	-15.28
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate?

The IUPAC name of 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate (CID 177103577) is 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate.

What is the SMILES notation for 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate?

The canonical SMILES for 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate is CNCCOCCOCCOCCC(=O)N(C)CC(=O)N(C)C(CCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NCCOCCOCCOC(=O)N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate?

The InChIKey is DYNYXBNHDSDZRB-ARGDGPJISA-N. The full InChI is InChI=1S/C59H115N9O33/c1-60-10-14-97-17-20-99-19-16-96-13-9-46(82)63(3)31-49(85)66(6)36(8-7-12-67(24-37(73)50(86)54(90)41(77)32-69)25-38(74)51(87)55(91)42(78)33-70)58(94)65(5)30-48(84)64(4)29-47(83)62(2)28-45(81)61-11-15-98-18-21-100-22-23-101-59(95)68(26-39(75)52(88)56(92)43(79)34-71)27-40(76)53(89)57(93)44(80)35-72/h36-44,50-57,60,69-80,86-93H,7-35H2,1-6H3,(H,61,81)/t36?,37-,38-,39-,40-,41+,42+,43+,44+,50+,51+,52+,53+,54+,55+,56+,57+/m0/s1.

What are the key properties of 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate?

2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate has a molecular weight of 1478.60 g/mol, XLogP of -15.28, 59 rotatable bonds, 22 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]pentanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethyl N,N-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamate is sourced from PubChem (CID 177103577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).