(2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

C75H137N3O31 — CID 10510730

About (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

(2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (PubChem CID 10510730) has the molecular formula C75H137N3O31 and a molecular weight of 1576.91 g/mol. Its IUPAC name is (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
• PubChem CID: 10510730
• Molecular Formula: C75H137N3O31
• Molecular Weight: 1576.91 g/mol
• Exact Mass: 1575.92
• IUPAC Name: (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
• SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@]2(C(=O)O)C[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)O3)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCC(C)CC
• InChI: InChI=1S/C75H137N3O31/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-49(84)69(97)77-47(59(89)48(83)35-32-29-27-24-25-28-31-34-44(3)7-2)42-102-70-65(95)64(94)61(91)54(106-70)43-103-74(72(98)99)38-52(57(76-46(5)82)68(108-74)60(90)51(86)39-79)107-75(73(100)101)37-50(85)56(78-55(87)41-81)67(109-75)62(92)53(40-80)105-71-66(96)63(93)58(88)45(4)104-71/h44-45,47-54,56-68,70-71,79-81,83-86,88-96H,6-43H2,1-5H3,(H,76,82)(H,77,97)(H,78,87)(H,98,99)(H,100,101)/t44?,45-,47-,48+,49+,50-,51+,52-,53+,54+,56+,57+,58+,59-,60+,61+,62+,63+,64-,65+,66-,67+,68+,70+,71-,74+,75+/m0/s1
• InChIKey: NTPPFDIJEDINQX-VTNWGONTSA-N
• XLogP: 0.31
• TPSA: 559.42 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 29
• Rotatable Bonds: 57
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1576.91
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The IUPAC name of (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CID 10510730) is (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid.

What is the SMILES notation for (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The canonical SMILES for (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid is CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@]2(C(=O)O)C[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)O3)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCC(C)CC.

What is the InChIKey of (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The InChIKey is NTPPFDIJEDINQX-VTNWGONTSA-N. The full InChI is InChI=1S/C75H137N3O31/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-49(84)69(97)77-47(59(89)48(83)35-32-29-27-24-25-28-31-34-44(3)7-2)42-102-70-65(95)64(94)61(91)54(106-70)43-103-74(72(98)99)38-52(57(76-46(5)82)68(108-74)60(90)51(86)39-79)107-75(73(100)101)37-50(85)56(78-55(87)41-81)67(109-75)62(92)53(40-80)105-71-66(96)63(93)58(88)45(4)104-71/h44-45,47-54,56-68,70-71,79-81,83-86,88-96H,6-43H2,1-5H3,(H,76,82)(H,77,97)(H,78,87)(H,98,99)(H,100,101)/t44?,45-,47-,48+,49+,50-,51+,52-,53+,54+,56+,57+,58+,59-,60+,61+,62+,63+,64-,65+,66-,67+,68+,70+,71-,74+,75+/m0/s1.

What are the key properties of (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

(2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid has a molecular weight of 1576.91 g/mol, XLogP of 0.31, 57 rotatable bonds, 21 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R,6R)-2-[(2R,4S,5R,6R)-5-acetamido-2-carboxy-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]-14-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-4-yl]oxy-6-[(1S,2R)-1,3-dihydroxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid is sourced from PubChem (CID 10510730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).