N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

C33H63N3O14 — CID 59189018

About N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (PubChem CID 59189018) has the molecular formula C33H63N3O14 and a molecular weight of 725.87 g/mol. Its IUPAC name is N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
• PubChem CID: 59189018
• Molecular Formula: C33H63N3O14
• Molecular Weight: 725.87 g/mol
• Exact Mass: 725.43
• IUPAC Name: N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
• SMILES: COC[C@]1(C)C(CO)O[C@](C)(COC[C@@]2(C)C(CO)O[C@@](C)(COC[C@]3(C)C(CO)O[C@](C)(CO)C(N)[C@@H]3O)C(NC(C)=O)[C@@H]2O)C(N)[C@@H]1O
• InChI: InChI=1S/C33H63N3O14/c1-18(41)36-24-27(44)30(4,15-46-16-32(6)23(35)26(43)28(2,13-45-8)19(9-37)49-32)21(11-39)50-33(24,7)17-47-14-29(3)20(10-38)48-31(5,12-40)22(34)25(29)42/h19-27,37-40,42-44H,9-17,34-35H2,1-8H3,(H,36,41)/t19?,20?,21?,22?,23?,24?,25-,26-,27-,28+,29+,30-,31+,32+,33-/m0/s1
• InChIKey: KIFUOZDELTZZHI-JDTNIIPSSA-N
• XLogP: -3.63
• TPSA: 278.13 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	725.87
LogP ≤ 5	-3.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?

The IUPAC name of N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (CID 59189018) is N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is COC[C@]1(C)C(CO)O[C@](C)(COC[C@@]2(C)C(CO)O[C@@](C)(COC[C@]3(C)C(CO)O[C@](C)(CO)C(N)[C@@H]3O)C(NC(C)=O)[C@@H]2O)C(N)[C@@H]1O.

What is the InChIKey of N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?

The InChIKey is KIFUOZDELTZZHI-JDTNIIPSSA-N. The full InChI is InChI=1S/C33H63N3O14/c1-18(41)36-24-27(44)30(4,15-46-16-32(6)23(35)26(43)28(2,13-45-8)19(9-37)49-32)21(11-39)50-33(24,7)17-47-14-29(3)20(10-38)48-31(5,12-40)22(34)25(29)42/h19-27,37-40,42-44H,9-17,34-35H2,1-8H3,(H,36,41)/t19?,20?,21?,22?,23?,24?,25-,26-,27-,28+,29+,30-,31+,32+,33-/m0/s1.

What are the key properties of N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?

N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide has a molecular weight of 725.87 g/mol, XLogP of -3.63, 15 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5R)-2-[[(3S,4R,6S)-5-amino-4-hydroxy-2,6-bis(hydroxymethyl)-3,6-dimethyloxan-3-yl]methoxymethyl]-5-[[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-(methoxymethyl)-2,5-dimethyloxan-2-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 59189018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).