5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol

C22H43N3O13 — CID 155635351

IUPAC5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3N)C(O)C(O)C2N)C(O)C(O)C1N
InChIInChI=1S/C22H43N3O13/c1-22(2,3)38-21-12(25)18(32)15(29)9(37-21)6-34-20-11(24)17(31)14(28)8(36-20)5-33-19-10(23)16(30)13(27)7(4-26)35-19/h7-21,26-32H,4-6,23-25H2,1-3H3
InChIKeyZONKDZLTJWJTLT-UHFFFAOYSA-N
MW557.59 g/mol
LogP-5.85
Rot. Bonds8

About 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol

5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 155635351) has the molecular formula C22H43N3O13 and a molecular weight of 557.59 g/mol. Its IUPAC name is 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID155635351
Molecular FormulaC22H43N3O13
Molecular Weight557.59 g/mol
Exact Mass557.28
IUPAC Name5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3N)C(O)C(O)C2N)C(O)C(O)C1N
InChIInChI=1S/C22H43N3O13/c1-22(2,3)38-21-12(25)18(32)15(29)9(37-21)6-34-20-11(24)17(31)14(28)8(36-20)5-33-19-10(23)16(30)13(27)7(4-26)35-19/h7-21,26-32H,4-6,23-25H2,1-3H3
InChIKeyZONKDZLTJWJTLT-UHFFFAOYSA-N
XLogP-5.85
TPSA275.05 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500557.59
LogP ≤ 5-5.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

6-[[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 163093840
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155117279
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91855358
(2R,3S,4R,5R,6R)-5-amino-6-butoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 10879084
(2R,3R,4R,5R,6S)-5-amino-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4-diol
CID 165180114
(2S,3R,5R)-3-amino-2-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-5-tert-butyl-6-(hydroxymethyl)oxan-4-ol
CID 58338801
(3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]oxolane-2,3,4-triol
CID 156617658
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol (CID 155635351) is 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol is CC(C)(C)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3N)C(O)C(O)C2N)C(O)C(O)C1N.
What is the InChIKey of 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is ZONKDZLTJWJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O13/c1-22(2,3)38-21-12(25)18(32)15(29)9(37-21)6-34-20-11(24)17(31)14(28)8(36-20)5-33-19-10(23)16(30)13(27)7(4-26)35-19/h7-21,26-32H,4-6,23-25H2,1-3H3.
What are the key properties of 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol?
5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 557.59 g/mol, XLogP of -5.85, 8 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 155635351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).