2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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

C55H106N10O31 — CID 175632276

About 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 175632276) has the molecular formula C55H106N10O31 and a molecular weight of 1403.49 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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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: 175632276
• Molecular Formula: C55H106N10O31
• Molecular Weight: 1403.49 g/mol
• Exact Mass: 1402.70
• 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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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: CNCC(=O)N(C)CC(=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/C55H106N10O31/c1-56-17-41(79)59(3)23-43(81)61(5)26-45(83)63(7)31(9-8-11-64(18-32(70)46(84)50(88)36(74)27-66)19-33(71)47(85)51(89)37(75)28-67)54(92)62(6)25-44(82)60(4)24-42(80)58(2)22-40(78)57-10-12-94-13-14-95-15-16-96-55(93)65(20-34(72)48(86)52(90)38(76)29-68)21-35(73)49(87)53(91)39(77)30-69/h31-39,46-53,56,66-77,84-91H,8-30H2,1-7H3,(H,57,78)/t31?,32-,33-,34-,35-,36+,37+,38+,39+,46+,47+,48+,49+,50+,51+,52+,53+/m0/s1
• InChIKey: MWUADHINLUAOSH-IABRYPDQSA-N
• XLogP: -16.26
• TPSA: 618.83 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 33
• Rotatable Bonds: 51
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.49
LogP ≤ 5	-16.26
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	33

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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 175632276) is 2-[2-[2-[[2-[[2-[[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 CNCC(=O)N(C)CC(=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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 MWUADHINLUAOSH-IABRYPDQSA-N. The full InChI is InChI=1S/C55H106N10O31/c1-56-17-41(79)59(3)23-43(81)61(5)26-45(83)63(7)31(9-8-11-64(18-32(70)46(84)50(88)36(74)27-66)19-33(71)47(85)51(89)37(75)28-67)54(92)62(6)25-44(82)60(4)24-42(80)58(2)22-40(78)57-10-12-94-13-14-95-15-16-96-55(93)65(20-34(72)48(86)52(90)38(76)29-68)21-35(73)49(87)53(91)39(77)30-69/h31-39,46-53,56,66-77,84-91H,8-30H2,1-7H3,(H,57,78)/t31?,32-,33-,34-,35-,36+,37+,38+,39+,46+,47+,48+,49+,50+,51+,52+,53+/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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 1403.49 g/mol, XLogP of -16.26, 51 rotatable bonds, 22 hydrogen bond donors, and 33 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-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]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 175632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).