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

C8H15NO4 — CID 10420005

IUPAC(1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O)CN12
InChIInChI=1S/C8H15NO4/c10-3-6-8(13)7(12)5-1-4(11)2-9(5)6/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1
InChIKeyCFGFJVAAZQVWOK-FMDGEEDCSA-N
MW189.21 g/mol
LogP-2.48
Rot. Bonds1

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

(1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (PubChem CID 10420005) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.

Molecular Properties

Compound Name(1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
PubChem CID10420005
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O)CN12
InChIInChI=1S/C8H15NO4/c10-3-6-8(13)7(12)5-1-4(11)2-9(5)6/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1
InChIKeyCFGFJVAAZQVWOK-FMDGEEDCSA-N
XLogP-2.48
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The IUPAC name of (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (CID 10420005) is (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.
What is the SMILES notation for (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The canonical SMILES for (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O)CN12.
What is the InChIKey of (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The InChIKey is CFGFJVAAZQVWOK-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H15NO4/c10-3-6-8(13)7(12)5-1-4(11)2-9(5)6/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
(1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol has a molecular weight of 189.21 g/mol, XLogP of -2.48, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6R,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is sourced from PubChem (CID 10420005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).