5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

C15H26N2O8 — CID 22961680

IUPAC5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC1=NC2C(C1)OC(CO)C(OC1OC(CO)C(O)C(O)C1N)C2O
InChIInChI=1S/C15H26N2O8/c1-5-2-6-10(17-5)13(22)14(8(4-19)23-6)25-15-9(16)12(21)11(20)7(3-18)24-15/h6-15,18-22H,2-4,16H2,1H3
InChIKeyXFKJMTFODWXHLF-UHFFFAOYSA-N
MW362.38 g/mol
LogP-3.51
Rot. Bonds4

About 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 22961680) has the molecular formula C15H26N2O8 and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID22961680
Molecular FormulaC15H26N2O8
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC Name5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC1=NC2C(C1)OC(CO)C(OC1OC(CO)C(O)C(O)C1N)C2O
InChIInChI=1S/C15H26N2O8/c1-5-2-6-10(17-5)13(22)14(8(4-19)23-6)25-15-9(16)12(21)11(20)7(3-18)24-15/h6-15,18-22H,2-4,16H2,1H3
InChIKeyXFKJMTFODWXHLF-UHFFFAOYSA-N
XLogP-3.51
TPSA167.22 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 5-3.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 90724646
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91278004
(3S,4S,6S)-5-amino-6-[(3S,4S,6S)-5-amino-6-[(3S,4S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 121391399
(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3R,4S,5S,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102243342
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91858083
(2S,3S,4R,5R,6S)-5-amino-6-[(2S,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 95048640
(3S,5S,6S)-5-amino-6-[(3S,6S)-5-amino-6-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 163940061
(3S,4R,6S)-5-amino-6-[(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 66809975
5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride
CID 74338136
5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methane
CID 172874991
5-amino-6-[5-amino-6-[5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;pentahydrochloride
CID 170920307

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (CID 22961680) is 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is CC1=NC2C(C1)OC(CO)C(OC1OC(CO)C(O)C(O)C1N)C2O.
What is the InChIKey of 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is XFKJMTFODWXHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O8/c1-5-2-6-10(17-5)13(22)14(8(4-19)23-6)25-15-9(16)12(21)11(20)7(3-18)24-15/h6-15,18-22H,2-4,16H2,1H3.
What are the key properties of 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 362.38 g/mol, XLogP of -3.51, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[[7-hydroxy-5-(hydroxymethyl)-2-methyl-3,3a,5,6,7,7a-hexahydropyrano[3,2-b]pyrrol-6-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 22961680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).