[(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate

C37H63NO23 — CID 88933463

About [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate

[(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate (PubChem CID 88933463) has the molecular formula C37H63NO23 and a molecular weight of 889.89 g/mol. Its IUPAC name is [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate.

Molecular Properties

• Compound Name: [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate
• PubChem CID: 88933463
• Molecular Formula: C37H63NO23
• Molecular Weight: 889.89 g/mol
• Exact Mass: 889.38
• IUPAC Name: [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate
• SMILES: COC1[C@H](O[C@H]2C(O)C(O)[C@@H](O[C@H]3C(OC)C(C)[C@H](O[C@@H]4C(CO)O[C@H](OC)C(O)[C@H]4O)O[C@H]3OC=O)O[C@H]2CO)OC(OC=O)[C@@H](O[C@H]2OC(CO)[C@@H](C)[C@H](C)C2N)[C@@H]1C
• InChI: InChI=1S/C37H63NO23/c1-13-14(2)20(38)32(53-17(13)8-39)56-27-15(3)26(49-6)37(61-35(27)51-11-42)58-29-19(10-41)55-34(24(47)22(29)45)59-30-25(48-5)16(4)31(60-36(30)52-12-43)57-28-18(9-40)54-33(50-7)23(46)21(28)44/h11-37,39-41,44-47H,8-10,38H2,1-7H3/t13-,14-,15+,16?,17?,18?,19-,20?,21+,22?,23?,24?,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35?,36+,37+/m0/s1
• InChIKey: GLADQAYWNRKSQN-KFJXADOKSA-N
• XLogP: -4.62
• TPSA: 330.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.89
LogP ≤ 5	-4.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate?

The IUPAC name of [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate (CID 88933463) is [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate.

What is the SMILES notation for [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate?

The canonical SMILES for [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate is COC1[C@H](O[C@H]2C(O)C(O)[C@@H](O[C@H]3C(OC)C(C)[C@H](O[C@@H]4C(CO)O[C@H](OC)C(O)[C@H]4O)O[C@H]3OC=O)O[C@H]2CO)OC(OC=O)[C@@H](O[C@H]2OC(CO)[C@@H](C)[C@H](C)C2N)[C@@H]1C.

What is the InChIKey of [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate?

The InChIKey is GLADQAYWNRKSQN-KFJXADOKSA-N. The full InChI is InChI=1S/C37H63NO23/c1-13-14(2)20(38)32(53-17(13)8-39)56-27-15(3)26(49-6)37(61-35(27)51-11-42)58-29-19(10-41)55-34(24(47)22(29)45)59-30-25(48-5)16(4)31(60-36(30)52-12-43)57-28-18(9-40)54-33(50-7)23(46)21(28)44/h11-37,39-41,44-47H,8-10,38H2,1-7H3/t13-,14-,15+,16?,17?,18?,19-,20?,21+,22?,23?,24?,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35?,36+,37+/m0/s1.

What are the key properties of [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate?

[(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate has a molecular weight of 889.89 g/mol, XLogP of -4.62, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,6R)-3-[(2R,4S,5S)-3-amino-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-6-[(2S,3S,6R)-6-[(2S,3S,6R)-6-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-formyloxy-4-methoxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-methoxy-4-methyloxan-2-yl] formate is sourced from PubChem (CID 88933463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).