5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide

C104H208N8O59 — CID 167299426

About 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide

5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide (PubChem CID 167299426) has the molecular formula C104H208N8O59 and a molecular weight of 2514.81 g/mol. Its IUPAC name is 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide.

Molecular Properties

• Compound Name: 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide
• PubChem CID: 167299426
• Molecular Formula: C104H208N8O59
• Molecular Weight: 2514.81 g/mol
• Exact Mass: 2513.35
• IUPAC Name: 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide
• SMILES: CC(=O)C(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)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)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)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)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C104H208N8O59/c1-73(119)76(110-90(133)7-13-149-17-21-153-25-29-157-33-37-161-41-45-165-49-53-169-57-59-171-55-51-167-47-43-163-39-35-159-31-27-155-23-19-151-15-9-106-104(147)75(108-62-78(121)92(135)98(141)84(127)68-114)5-3-11-112(65-81(124)95(138)101(144)87(130)71-117)66-82(125)96(139)102(145)88(131)72-118)60-109-89(132)6-12-148-16-20-152-24-28-156-32-36-160-40-44-164-48-52-168-56-58-170-54-50-166-46-42-162-38-34-158-30-26-154-22-18-150-14-8-105-103(146)74(107-61-77(120)91(134)97(140)83(126)67-113)4-2-10-111(63-79(122)93(136)99(142)85(128)69-115)64-80(123)94(137)100(143)86(129)70-116/h74-88,91-102,107-108,113-118,120-131,134-145H,2-72H2,1H3,(H,105,146)(H,106,147)(H,109,132)(H,110,133)/t74?,75?,76?,77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,88+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+/m0/s1
• InChIKey: RTOZPRSVZWMHMR-OTSATCGYSA-N
• XLogP: -20.72
• TPSA: 992.43 Ų
• H-Bond Donors: 36
• H-Bond Acceptors: 63
• Rotatable Bonds: 130
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.81
LogP ≤ 5	-20.72
H-Bond Donors ≤ 5	36
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide?

The IUPAC name of 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide (CID 167299426) is 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide.

What is the SMILES notation for 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide?

The canonical SMILES for 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide is CC(=O)C(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)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)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)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)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide?

The InChIKey is RTOZPRSVZWMHMR-OTSATCGYSA-N. The full InChI is InChI=1S/C104H208N8O59/c1-73(119)76(110-90(133)7-13-149-17-21-153-25-29-157-33-37-161-41-45-165-49-53-169-57-59-171-55-51-167-47-43-163-39-35-159-31-27-155-23-19-151-15-9-106-104(147)75(108-62-78(121)92(135)98(141)84(127)68-114)5-3-11-112(65-81(124)95(138)101(144)87(130)71-117)66-82(125)96(139)102(145)88(131)72-118)60-109-89(132)6-12-148-16-20-152-24-28-156-32-36-160-40-44-164-48-52-168-56-58-170-54-50-166-46-42-162-38-34-158-30-26-154-22-18-150-14-8-105-103(146)74(107-61-77(120)91(134)97(140)83(126)67-113)4-2-10-111(63-79(122)93(136)99(142)85(128)69-115)64-80(123)94(137)100(143)86(129)70-116/h74-88,91-102,107-108,113-118,120-131,134-145H,2-72H2,1H3,(H,105,146)(H,106,147)(H,109,132)(H,110,133)/t74?,75?,76?,77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,88+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+/m0/s1.

What are the key properties of 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide?

5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide has a molecular weight of 2514.81 g/mol, XLogP of -20.72, 130 rotatable bonds, 36 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanamide is sourced from PubChem (CID 167299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).