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

C8H15NO3 — CID 6452563

IUPAC(1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
SMILESOC[C@@H]1[C@@H]2[C@H](O)CCN2C[C@H]1O
InChIInChI=1S/C8H15NO3/c10-4-5-7(12)3-9-2-1-6(11)8(5)9/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKeyHRBZHPMMNALVKR-LXGUWJNJSA-N
MW173.21 g/mol
LogP-1.60
Rot. Bonds1

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

(1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol (PubChem CID 6452563) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol.

Molecular Properties

Compound Name(1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
PubChem CID6452563
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
SMILESOC[C@@H]1[C@@H]2[C@H](O)CCN2C[C@H]1O
InChIInChI=1S/C8H15NO3/c10-4-5-7(12)3-9-2-1-6(11)8(5)9/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m0/s1
InChIKeyHRBZHPMMNALVKR-LXGUWJNJSA-N
XLogP-1.60
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 ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The IUPAC name of (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol (CID 6452563) is (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol.
What is the SMILES notation for (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The canonical SMILES for (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol is OC[C@@H]1[C@@H]2[C@H](O)CCN2C[C@H]1O.
What is the InChIKey of (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The InChIKey is HRBZHPMMNALVKR-LXGUWJNJSA-N. The full InChI is InChI=1S/C8H15NO3/c10-4-5-7(12)3-9-2-1-6(11)8(5)9/h5-8,10-12H,1-4H2/t5-,6+,7+,8+/m0/s1.
What are the key properties of (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
(1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol has a molecular weight of 173.21 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol is sourced from PubChem (CID 6452563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).