3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

C9H17NO5 — CID 73316636

IUPAC3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOCC1CC(O)C2C(O)C(O)C(CO)N12
InChIInChI=1S/C9H17NO5/c11-2-4-1-6(13)7-9(15)8(14)5(3-12)10(4)7/h4-9,11-15H,1-3H2
InChIKeyFKQQQROPNALGDM-UHFFFAOYSA-N
MW219.24 g/mol
LogP-3.12
Rot. Bonds2

About 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (PubChem CID 73316636) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.

Molecular Properties

Compound Name3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID73316636
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOCC1CC(O)C2C(O)C(O)C(CO)N12
InChIInChI=1S/C9H17NO5/c11-2-4-1-6(13)7-9(15)8(14)5(3-12)10(4)7/h4-9,11-15H,1-3H2
InChIKeyFKQQQROPNALGDM-UHFFFAOYSA-N
XLogP-3.12
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-3.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Australine
CID 442628
Casuarine
CID 9859098
Cfgfjvaazqvwok-fmdgeedcsa-
CID 10420005
3-(Hydroxymethyl)-1,2,7-trihydroxypyrrolizidine
CID 72360
Alexine
CID 189377
3,7a-Diepialexine
CID 189605
(1S,2R,3R,7S,7aR)-3-Hydroxymethyl-1,2,7-trihydroxypyrrolizidine
CID 453575
Hyacinthacine A6
CID 11127013
Hyacinthacine B3
CID 10262292
(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,6,7-tetrol
CID 72199747
alpha-5-C-(1,3-Dihydroxybutyl)hyacinthacine A1
CID 10355288
alpha-5-C-(3-Hydroxybutyl)-7-epi-australine
CID 11254004

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The IUPAC name of 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 73316636) is 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
What is the SMILES notation for 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The canonical SMILES for 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is OCC1CC(O)C2C(O)C(O)C(CO)N12.
What is the InChIKey of 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The InChIKey is FKQQQROPNALGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c11-2-4-1-6(13)7-9(15)8(14)5(3-12)10(4)7/h4-9,11-15H,1-3H2.
What are the key properties of 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol has a molecular weight of 219.24 g/mol, XLogP of -3.12, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is sourced from PubChem (CID 73316636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).