N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane

C73H133N7O25 — CID 159653692

About N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane

N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane (PubChem CID 159653692) has the molecular formula C73H133N7O25 and a molecular weight of 1508.89 g/mol. Its IUPAC name is N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane.

Molecular Properties

• Compound Name: N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane
• PubChem CID: 159653692
• Molecular Formula: C73H133N7O25
• Molecular Weight: 1508.89 g/mol
• Exact Mass: 1507.94
• IUPAC Name: N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane
• SMILES: CC(C)C.COCCC(=O)CCCC(=O)NCCCCC(C(=O)CCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C)N(CC(=O)CCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O)CC(=O)NCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C69H123N7O25.C4H10/c1-45-61(89)63(91)52(42-77)99-67(45)96-36-17-5-8-26-56(85)71-33-16-13-25-51(83)50(24-12-15-32-72-58(87)29-20-23-48(81)30-39-95-4)76(41-59(88)74-35-21-34-73-57(86)28-9-6-18-37-97-68-46(2)62(90)64(92)53(43-78)100-68)40-49(82)22-11-14-31-70-55(84)27-10-7-19-38-98-69-60(75-47(3)80)66(94)65(93)54(44-79)101-69;1-4(2)3/h45-46,50,52-54,60-69,77-79,89-94H,5-44H2,1-4H3,(H,70,84)(H,71,85)(H,72,87)(H,73,86)(H,74,88)(H,75,80);4H,1-3H3
• InChIKey: MRWZYUNPKIHHKK-UHFFFAOYSA-N
• XLogP: 0.54
• TPSA: 475.73 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 57
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.89
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane?

The IUPAC name of N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane (CID 159653692) is N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane.

What is the SMILES notation for N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane?

The canonical SMILES for N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane is CC(C)C.COCCC(=O)CCCC(=O)NCCCCC(C(=O)CCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C)N(CC(=O)CCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O)CC(=O)NCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane?

The InChIKey is MRWZYUNPKIHHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H123N7O25.C4H10/c1-45-61(89)63(91)52(42-77)99-67(45)96-36-17-5-8-26-56(85)71-33-16-13-25-51(83)50(24-12-15-32-72-58(87)29-20-23-48(81)30-39-95-4)76(41-59(88)74-35-21-34-73-57(86)28-9-6-18-37-97-68-46(2)62(90)64(92)53(43-78)100-68)40-49(82)22-11-14-31-70-55(84)27-10-7-19-38-98-69-60(75-47(3)80)66(94)65(93)54(44-79)101-69;1-4(2)3/h45-46,50,52-54,60-69,77-79,89-94H,5-44H2,1-4H3,(H,70,84)(H,71,85)(H,72,87)(H,73,86)(H,74,88)(H,75,80);4H,1-3H3.

What are the key properties of N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane?

N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane has a molecular weight of 1508.89 g/mol, XLogP of 0.54, 57 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]-2-oxohexyl]-[2-[3-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]propylamino]-2-oxoethyl]amino]-10-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-6-oxodecyl]-7-methoxy-5-oxoheptanamide;2-methylpropane is sourced from PubChem (CID 159653692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).