(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol

C8H15NO3 — CID 11126759

IUPAC(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
SMILESOC[C@@]1(O)CCN2CC[C@@H](O)[C@H]21
InChIInChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyNGWMXODAPSOEMX-CSMHCCOUSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds1

About (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol

(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol (PubChem CID 11126759) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol.

Molecular Properties

Compound Name(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
PubChem CID11126759
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
SMILESOC[C@@]1(O)CCN2CC[C@@H](O)[C@H]21
InChIInChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyNGWMXODAPSOEMX-CSMHCCOUSA-N
XLogP-1.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The IUPAC name of (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol (CID 11126759) is (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol.
What is the SMILES notation for (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The canonical SMILES for (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol is OC[C@@]1(O)CCN2CC[C@@H](O)[C@H]21.
What is the InChIKey of (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
The InChIKey is NGWMXODAPSOEMX-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-8(12)2-4-9-3-1-6(11)7(8)9/h6-7,10-12H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol?
(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol has a molecular weight of 173.21 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol is sourced from PubChem (CID 11126759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).