5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol

C25H53N7O11 — CID 91125195

IUPAC5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol
SMILESNCCC(O)CNCC1OC(C2C(N)CC(NCC(O)CN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
InChIInChI=1S/C25H53N7O11/c26-2-1-9(34)5-31-7-13-19(37)21(39)17(30)24(41-13)15-11(28)3-12(32-6-10(35)4-27)23(20(15)38)43-25-22(40)16(29)18(36)14(8-33)42-25/h9-25,31-40H,1-8,26-30H2
InChIKeyRAVRMVHQEWTUJC-UHFFFAOYSA-N
MW627.74 g/mol
LogP-8.76
Rot. Bonds14

About 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol

5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol (PubChem CID 91125195) has the molecular formula C25H53N7O11 and a molecular weight of 627.74 g/mol. Its IUPAC name is 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol
PubChem CID91125195
Molecular FormulaC25H53N7O11
Molecular Weight627.74 g/mol
Exact Mass627.38
IUPAC Name5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol
SMILESNCCC(O)CNCC1OC(C2C(N)CC(NCC(O)CN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
InChIInChI=1S/C25H53N7O11/c26-2-1-9(34)5-31-7-13-19(37)21(39)17(30)24(41-13)15-11(28)3-12(32-6-10(35)4-27)23(20(15)38)43-25-22(40)16(29)18(36)14(8-33)42-25/h9-25,31-40H,1-8,26-30H2
InChIKeyRAVRMVHQEWTUJC-UHFFFAOYSA-N
XLogP-8.76
TPSA343.69 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 5-8.76
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Analyze 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-6-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4,5-triol
CID 91215993
2-[6-amino-4-[(3-amino-2-hydroxypropyl)amino]-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-6-[(2,3-dihydroxypropylamino)methyl]oxane-3,4,5-triol
CID 91498099
3-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
CID 91473116
4-amino-2-[4-amino-3-[3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 90708936
4-amino-2-[4-amino-3-[3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]oxan-2-yl]-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 91493593
4-amino-2-[4-amino-3-[3-amino-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 91079602
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 67891873
4-amino-N-[5-amino-4-[3-amino-6-[[(4-amino-2-hydroxybutyl)amino]methyl]-5-hydroxyoxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 91275079
4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-[(4-amino-2-hydroxybutyl)amino]-6-(aminomethyl)-5-hydroxyoxan-2-yl]-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 91384767
2-[2-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-6-(aminomethyl)oxan-3-yl]guanidine
CID 91379539
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 67891859
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(3-aminopropylamino)methyl]oxan-2-yl]oxy-6-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 67891720

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol?
The IUPAC name of 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol (CID 91125195) is 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol is NCCC(O)CNCC1OC(C2C(N)CC(NCC(O)CN)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O.
What is the InChIKey of 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol?
The InChIKey is RAVRMVHQEWTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N7O11/c26-2-1-9(34)5-31-7-13-19(37)21(39)17(30)24(41-13)15-11(28)3-12(32-6-10(35)4-27)23(20(15)38)43-25-22(40)16(29)18(36)14(8-33)42-25/h9-25,31-40H,1-8,26-30H2.
What are the key properties of 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol?
5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol has a molecular weight of 627.74 g/mol, XLogP of -8.76, 14 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3-amino-2-hydroxypropyl)amino]-2-hydroxycyclohexyl]-2-[[(4-amino-2-hydroxybutyl)amino]methyl]oxane-3,4-diol is sourced from PubChem (CID 91125195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).