N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

C145H266N10O75 — CID 165065494

About N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (PubChem CID 165065494) has the molecular formula C145H266N10O75 and a molecular weight of 3349.72 g/mol. Its IUPAC name is N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

Molecular Properties

• Compound Name: N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
• PubChem CID: 165065494
• Molecular Formula: C145H266N10O75
• Molecular Weight: 3349.72 g/mol
• Exact Mass: 3347.73
• IUPAC Name: N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
• SMILES: CC(=O)C(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.CC(=O)C(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.CC(=O)[C@@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.CC(=O)[C@@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.CC(=O)[C@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO
• InChI: InChI=1S/2C29H52N2O15.3C29H54N2O15/c2*1-16(34)17(31-21(36)10-4-7-13-44-29-27(42)25(40)23(38)19(15-33)46-29)8-2-5-11-30-20(35)9-3-6-12-43-28-26(41)24(39)22(37)18(14-32)45-28;3*1-17(34)18(31-22(37)10-4-6-14-44-28(43)26(41)23(38)19(35)11-13-32)8-2-5-12-30-21(36)9-3-7-15-45-29-27(42)25(40)24(39)20(16-33)46-29/h2*17-19,22-29,32-33,37-42H,2-15H2,1H3,(H,30,35)(H,31,36);3*18-20,23-29,32-33,35,38-43H,2-16H2,1H3,(H,30,36)(H,31,37)/t17-,18?,19?,22?,23?,24?,25?,26?,27?,28?,29?;;2*18-,19?,20?,23?,24?,25?,26?,27?,28?,29?;/m1.10./s1
• InChIKey: RWRCWHKBGPGFJN-KJPBAALBSA-N
• XLogP: -18.45
• TPSA: 1403.15 Ų
• H-Bond Donors: 53
• H-Bond Acceptors: 75
• Rotatable Bonds: 117
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3349.72
LogP ≤ 5	-18.45
H-Bond Donors ≤ 5	53
H-Bond Acceptors ≤ 10	75

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The IUPAC name of N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (CID 165065494) is N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

What is the SMILES notation for N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The canonical SMILES for N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is CC(=O)C(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.CC(=O)C(CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.CC(=O)[C@@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.CC(=O)[C@@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.CC(=O)[C@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.

What is the InChIKey of N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The InChIKey is RWRCWHKBGPGFJN-KJPBAALBSA-N. The full InChI is InChI=1S/2C29H52N2O15.3C29H54N2O15/c2*1-16(34)17(31-21(36)10-4-7-13-44-29-27(42)25(40)23(38)19(15-33)46-29)8-2-5-11-30-20(35)9-3-6-12-43-28-26(41)24(39)22(37)18(14-32)45-28;3*1-17(34)18(31-22(37)10-4-6-14-44-28(43)26(41)23(38)19(35)11-13-32)8-2-5-12-30-21(36)9-3-7-15-45-29-27(42)25(40)24(39)20(16-33)46-29/h2*17-19,22-29,32-33,37-42H,2-15H2,1H3,(H,30,35)(H,31,36);3*18-20,23-29,32-33,35,38-43H,2-16H2,1H3,(H,30,36)(H,31,37)/t17-,18?,19?,22?,23?,24?,25?,26?,27?,28?,29?;;2*18-,19?,20?,23?,24?,25?,26?,27?,28?,29?;/m1.10./s1.

What are the key properties of N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide has a molecular weight of 3349.72 g/mol, XLogP of -18.45, 117 rotatable bonds, 53 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is sourced from PubChem (CID 165065494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).