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

C12H24N2O9 — CID 3458144

IUPAC5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2
InChIKeyQLTSDROPCWIKKY-UHFFFAOYSA-N
MW340.33 g/mol
LogP-5.46
Rot. Bonds4

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

5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 3458144) has the molecular formula C12H24N2O9 and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID3458144
Molecular FormulaC12H24N2O9
Molecular Weight340.33 g/mol
Exact Mass340.15
IUPAC Name5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESNC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2
InChIKeyQLTSDROPCWIKKY-UHFFFAOYSA-N
XLogP-5.46
TPSA201.11 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500340.33
LogP ≤ 5-5.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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

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Related Compounds

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CID 6032
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CID 36294
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beta-D-Glucosamine
CID 441477
Neamine
CID 72392
Kanamycin B
CID 439318
Dibekacin
CID 470999
D-Galactosamine
CID 24154
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 9859210
Kanamycin C
CID 439582
6-(alpha-D-glucosaminyl)-1D-myo-inositol
CID 445937
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 2723635

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 3458144) is 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is NC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1O.
What is the InChIKey of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is QLTSDROPCWIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2.
What are the key properties of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 340.33 g/mol, XLogP of -5.46, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 3458144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).