N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide

C24H46N6O14 — CID 156673493

About N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide

N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide (PubChem CID 156673493) has the molecular formula C24H46N6O14 and a molecular weight of 642.66 g/mol. Its IUPAC name is N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide.

Molecular Properties

• Compound Name: N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide
• PubChem CID: 156673493
• Molecular Formula: C24H46N6O14
• Molecular Weight: 642.66 g/mol
• Exact Mass: 642.31
• IUPAC Name: N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide
• SMILES: NC[C@@H]1O[C@H](O[C@@H]2C(O)[C@H](O[C@@H]3C(O)[C@H](N)CC(N)[C@H]3O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3N)O[C@@H]2CNC=O)C(N)C(O)[C@@H]1O
• InChI: InChI=1S/C24H46N6O14/c25-2-8-14(34)16(36)11(28)22(39-8)43-20-9(3-30-5-32)40-24(18(20)38)44-21-13(33)6(26)1-7(27)19(21)42-23-12(29)17(37)15(35)10(4-31)41-23/h5-24,31,33-38H,1-4,25-29H2,(H,30,32)/t6-,7?,8+,9-,10?,11?,12?,13?,14-,15-,16?,17-,18?,19-,20+,21-,22-,23-,24+/m1/s1
• InChIKey: NPGQOSAPJFEGAQ-HBWDLNKHSA-N
• XLogP: -9.11
• TPSA: 356.19 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	642.66
LogP ≤ 5	-9.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide?

The IUPAC name of N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide (CID 156673493) is N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide.

What is the SMILES notation for N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide?

The canonical SMILES for N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide is NC[C@@H]1O[C@H](O[C@@H]2C(O)[C@H](O[C@@H]3C(O)[C@H](N)CC(N)[C@H]3O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3N)O[C@@H]2CNC=O)C(N)C(O)[C@@H]1O.

What is the InChIKey of N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide?

The InChIKey is NPGQOSAPJFEGAQ-HBWDLNKHSA-N. The full InChI is InChI=1S/C24H46N6O14/c25-2-8-14(34)16(36)11(28)22(39-8)43-20-9(3-30-5-32)40-24(18(20)38)44-21-13(33)6(26)1-7(27)19(21)42-23-12(29)17(37)15(35)10(4-31)41-23/h5-24,31,33-38H,1-4,25-29H2,(H,30,32)/t6-,7?,8+,9-,10?,11?,12?,13?,14-,15-,16?,17-,18?,19-,20+,21-,22-,23-,24+/m1/s1.

What are the key properties of N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide?

N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide has a molecular weight of 642.66 g/mol, XLogP of -9.11, 11 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3R,5S)-3-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]formamide is sourced from PubChem (CID 156673493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).