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

C24H51N7O9 — CID 91493593

IUPAC4-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
SMILESNCC(O)CNC1CC(N)C(C2OC(CNCC(N)CO)CCC2N)C(O)C1OC1OC(CO)C(O)C(N)C1O
InChIInChI=1S/C24H51N7O9/c25-4-11(34)6-31-15-3-14(28)17(22-13(27)2-1-12(38-22)7-30-5-10(26)8-32)20(36)23(15)40-24-21(37)18(29)19(35)16(9-33)39-24/h10-24,30-37H,1-9,25-29H2
InChIKeyXKFVGIYRZFTUIR-UHFFFAOYSA-N
MW581.71 g/mol
LogP-7.09
Rot. Bonds13

About 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

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 (PubChem CID 91493593) has the molecular formula C24H51N7O9 and a molecular weight of 581.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID91493593
Molecular FormulaC24H51N7O9
Molecular Weight581.71 g/mol
Exact Mass581.37
IUPAC Name4-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
SMILESNCC(O)CNC1CC(N)C(C2OC(CNCC(N)CO)CCC2N)C(O)C1OC1OC(CO)C(O)C(N)C1O
InChIInChI=1S/C24H51N7O9/c25-4-11(34)6-31-15-3-14(28)17(22-13(27)2-1-12(38-22)7-30-5-10(26)8-32)20(36)23(15)40-24-21(37)18(29)19(35)16(9-33)39-24/h10-24,30-37H,1-9,25-29H2
InChIKeyXKFVGIYRZFTUIR-UHFFFAOYSA-N
XLogP-7.09
TPSA303.23 Ų
H-Bond Donors13
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 5-7.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-[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
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
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,4S,6R)-4-amino-6-[(3-amino-2-hydroxypropyl)amino]-3-[(2R,3R,6S)-3-amino-6-[(3-hydroxypropylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 67891751
(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
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
4-amino-N-[5-amino-4-[3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 90743607
(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,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
3-amino-N-[5-amino-4-[3-[(3-aminocyclobutyl)methylamino]-6-(aminomethyl)oxan-2-yl]-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
CID 90747128

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCC(O)CNC1CC(N)C(C2OC(CNCC(N)CO)CCC2N)C(O)C1OC1OC(CO)C(O)C(N)C1O.
What is the InChIKey of 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?
The InChIKey is XKFVGIYRZFTUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N7O9/c25-4-11(34)6-31-15-3-14(28)17(22-13(27)2-1-12(38-22)7-30-5-10(26)8-32)20(36)23(15)40-24-21(37)18(29)19(35)16(9-33)39-24/h10-24,30-37H,1-9,25-29H2.
What are the key properties of 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?
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 has a molecular weight of 581.71 g/mol, XLogP of -7.09, 13 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91493593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).