(2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

C23H45N5O7 — CID 146767476

About (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

(2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 146767476) has the molecular formula C23H45N5O7 and a molecular weight of 503.64 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• PubChem CID: 146767476
• Molecular Formula: C23H45N5O7
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.33
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2C(O)[C@H](O[C@H]3OC(CCCCCN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O
• InChI: InChI=1S/C23H45N5O7/c1-23(31)11-32-22(17(30)20(23)28-2)35-19-15(27)10-14(26)18(16(19)29)34-21-13(25)8-7-12(33-21)6-4-3-5-9-24/h7,13-22,28-31H,3-6,8-11,24-27H2,1-2H3/t13-,14+,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1
• InChIKey: RQXIGAGBHNZQKU-QNMGPMDXSA-N
• XLogP: -2.29
• TPSA: 213.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	-2.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The IUPAC name of (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CID 146767476) is (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

What is the SMILES notation for (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The canonical SMILES for (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2C(O)[C@H](O[C@H]3OC(CCCCCN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.

What is the InChIKey of (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

The InChIKey is RQXIGAGBHNZQKU-QNMGPMDXSA-N. The full InChI is InChI=1S/C23H45N5O7/c1-23(31)11-32-22(17(30)20(23)28-2)35-19-15(27)10-14(26)18(16(19)29)34-21-13(25)8-7-12(33-21)6-4-3-5-9-24/h7,13-22,28-31H,3-6,8-11,24-27H2,1-2H3/t13-,14+,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1.

What are the key properties of (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol?

(2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 503.64 g/mol, XLogP of -2.29, 10 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(5-aminopentyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 146767476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).