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

C26H52N6O8 — CID 146264309

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

(2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 146264309) has the molecular formula C26H52N6O8 and a molecular weight of 576.74 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• PubChem CID: 146264309
• Molecular Formula: C26H52N6O8
• Molecular Weight: 576.74 g/mol
• Exact Mass: 576.38
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](NCC(O)CCN)C[C@H](N)C(C3OC(CNCCCO)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
• InChI: InChI=1S/C26H52N6O8/c1-26(37)13-38-25(21(36)24(26)30-2)40-23-18(32-11-14(34)6-7-27)10-17(29)19(20(23)35)22-16(28)5-4-15(39-22)12-31-8-3-9-33/h4,14,16-25,30-37H,3,5-13,27-29H2,1-2H3/t14?,16-,17+,18-,19?,20+,21-,22?,23+,24-,25-,26+/m1/s1
• InChIKey: XBSSJFKBMYDMEF-OQJROPHDSA-N
• XLogP: -4.22
• TPSA: 242.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.74
LogP ≤ 5	-4.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

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

The IUPAC name of (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (CID 146264309) is (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol.

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

The canonical SMILES for (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](NCC(O)CCN)C[C@H](N)C(C3OC(CNCCCO)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O.

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

The InChIKey is XBSSJFKBMYDMEF-OQJROPHDSA-N. The full InChI is InChI=1S/C26H52N6O8/c1-26(37)13-38-25(21(36)24(26)30-2)40-23-18(32-11-14(34)6-7-27)10-17(29)19(20(23)35)22-16(28)5-4-15(39-22)12-31-8-3-9-33/h4,14,16-25,30-37H,3,5-13,27-29H2,1-2H3/t14?,16-,17+,18-,19?,20+,21-,22?,23+,24-,25-,26+/m1/s1.

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

(2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 576.74 g/mol, XLogP of -4.22, 14 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-[(1S,2S,4S,6R)-4-amino-6-[(4-amino-2-hydroxybutyl)amino]-3-[(2R,3R)-3-amino-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 146264309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).