5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol

C8H15NO5 — CID 74394391

IUPAC5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol
SMILESOCC1OC2C(O)CNC2C(O)C1O
InChIInChI=1S/C8H15NO5/c10-2-4-6(12)7(13)5-8(14-4)3(11)1-9-5/h3-13H,1-2H2
InChIKeyMOHKQMHTZUOTRI-UHFFFAOYSA-N
MW205.21 g/mol
LogP-3.20
Rot. Bonds1

About 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol

5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol (PubChem CID 74394391) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol
PubChem CID74394391
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol
SMILESOCC1OC2C(O)CNC2C(O)C1O
InChIInChI=1S/C8H15NO5/c10-2-4-6(12)7(13)5-8(14-4)3(11)1-9-5/h3-13H,1-2H2
InChIKeyMOHKQMHTZUOTRI-UHFFFAOYSA-N
XLogP-3.20
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5S,6R)-3-[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10785947
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(3aS,7aS)-5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-6,7-diol
CID 166975574
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4S,5S,6S)-2-[(2S,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94029804
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(2S,3R,4S,5S,6R)-2-[15-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxypentadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54763866

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol?
The IUPAC name of 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol (CID 74394391) is 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol.
What is the SMILES notation for 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol?
The canonical SMILES for 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol is OCC1OC2C(O)CNC2C(O)C1O.
What is the InChIKey of 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol?
The InChIKey is MOHKQMHTZUOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-2-4-6(12)7(13)5-8(14-4)3(11)1-9-5/h3-13H,1-2H2.
What are the key properties of 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol?
5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol has a molecular weight of 205.21 g/mol, XLogP of -3.20, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole-3,6,7-triol is sourced from PubChem (CID 74394391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).