3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol

C8H16N2O5 — CID 154732192

IUPAC3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol
SMILESNC1CC2OC(O)C(N)C(O)C2OC1O
InChIInChI=1S/C8H16N2O5/c9-2-1-3-6(15-7(2)12)5(11)4(10)8(13)14-3/h2-8,11-13H,1,9-10H2
InChIKeySXFAKEJHUGQLQF-UHFFFAOYSA-N
MW220.23 g/mol
LogP-3.17
Rot. Bonds

About 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol

3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol (PubChem CID 154732192) has the molecular formula C8H16N2O5 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol.

Molecular Properties

Compound Name3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol
PubChem CID154732192
Molecular FormulaC8H16N2O5
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol
SMILESNC1CC2OC(O)C(N)C(O)C2OC1O
InChIInChI=1S/C8H16N2O5/c9-2-1-3-6(15-7(2)12)5(11)4(10)8(13)14-3/h2-8,11-13H,1,9-10H2
InChIKeySXFAKEJHUGQLQF-UHFFFAOYSA-N
XLogP-3.17
TPSA131.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-3.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol with MolForge

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Related Compounds

(4aR,7R,8R,8aS)-7-amino-2-(deuteriomethyl)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol
CID 57042539
(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
CID 98516260
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
CID 172578816
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(2S,3R,4S,5R,6S)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
CID 125028687
3-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]oxiran-2-ol
CID 131996162

Frequently Asked Questions

What is the IUPAC name of 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol?
The IUPAC name of 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol (CID 154732192) is 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol.
What is the SMILES notation for 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol?
The canonical SMILES for 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol is NC1CC2OC(O)C(N)C(O)C2OC1O.
What is the InChIKey of 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol?
The InChIKey is SXFAKEJHUGQLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c9-2-1-3-6(15-7(2)12)5(11)4(10)8(13)14-3/h2-8,11-13H,1,9-10H2.
What are the key properties of 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol?
3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol has a molecular weight of 220.23 g/mol, XLogP of -3.17, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diamino-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2,4,6-triol is sourced from PubChem (CID 154732192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).