N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide

C75H138N10O27 — CID 165380192

About N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide

N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide (PubChem CID 165380192) has the molecular formula C75H138N10O27 and a molecular weight of 1611.97 g/mol. Its IUPAC name is N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide.

Molecular Properties

• Compound Name: N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide
• PubChem CID: 165380192
• Molecular Formula: C75H138N10O27
• Molecular Weight: 1611.97 g/mol
• Exact Mass: 1610.97
• IUPAC Name: N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide
• SMILES: CC(=O)NC1[C@H](OCCCCC(=O)NCCCCCNC(=O)CCOCCC(CCCOCCCCC(=O)NCCCCNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)(CCOCCCC(=O)NCCCCNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)NC(C)C)OC(CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C75H138N10O27/c1-50(2)85-75(30-45-105-39-21-27-61(96)80-37-16-15-36-79-60(95)26-10-20-43-109-74-65(84-53(5)91)71(103)68(100)56(49-88)112-74,31-46-106-44-28-62(97)81-33-12-6-11-32-76-58(93)24-8-18-41-107-72-63(82-51(3)89)69(101)66(98)54(47-86)110-72)29-22-40-104-38-17-7-23-57(92)77-34-13-14-35-78-59(94)25-9-19-42-108-73-64(83-52(4)90)70(102)67(99)55(48-87)111-73/h50,54-56,63-74,85-88,98-103H,6-49H2,1-5H3,(H,76,93)(H,77,92)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,89)(H,83,90)(H,84,91)/t54?,55?,56?,63?,64?,65?,66-,67-,68-,69+,70+,71+,72+,73+,74+,75?/m0/s1
• InChIKey: GZFLZQSEFFGKRV-CQONPOATSA-N
• XLogP: -2.51
• TPSA: 539.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 28
• Rotatable Bonds: 64
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1611.97
LogP ≤ 5	-2.51
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide?

The IUPAC name of N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide (CID 165380192) is N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide.

What is the SMILES notation for N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide?

The canonical SMILES for N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide is CC(=O)NC1[C@H](OCCCCC(=O)NCCCCCNC(=O)CCOCCC(CCCOCCCCC(=O)NCCCCNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)(CCOCCCC(=O)NCCCCNC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)NC(C)C)OC(CO)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide?

The InChIKey is GZFLZQSEFFGKRV-CQONPOATSA-N. The full InChI is InChI=1S/C75H138N10O27/c1-50(2)85-75(30-45-105-39-21-27-61(96)80-37-16-15-36-79-60(95)26-10-20-43-109-74-65(84-53(5)91)71(103)68(100)56(49-88)112-74,31-46-106-44-28-62(97)81-33-12-6-11-32-76-58(93)24-8-18-41-107-72-63(82-51(3)89)69(101)66(98)54(47-86)110-72)29-22-40-104-38-17-7-23-57(92)77-34-13-14-35-78-59(94)25-9-19-42-108-73-64(83-52(4)90)70(102)67(99)55(48-87)111-73/h50,54-56,63-74,85-88,98-103H,6-49H2,1-5H3,(H,76,93)(H,77,92)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,89)(H,83,90)(H,84,91)/t54?,55?,56?,63?,64?,65?,66-,67-,68-,69+,70+,71+,72+,73+,74+,75?/m0/s1.

What are the key properties of N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide?

N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide has a molecular weight of 1611.97 g/mol, XLogP of -2.51, 64 rotatable bonds, 19 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide is sourced from PubChem (CID 165380192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).