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

C7H13NO3 — CID 11252155

IUPAC(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESO[C@@H]1[C@H]2[C@H](O)CCN2C[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-4-1-2-8-3-5(10)7(11)6(4)8/h4-7,9-11H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyVITWQXFCXWSTHM-UCROKIRRSA-N
MW159.18 g/mol
LogP-1.84
Rot. Bonds

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

(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (PubChem CID 11252155) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.

Molecular Properties

Compound Name(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID11252155
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESO[C@@H]1[C@H]2[C@H](O)CCN2C[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-4-1-2-8-3-5(10)7(11)6(4)8/h4-7,9-11H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyVITWQXFCXWSTHM-UCROKIRRSA-N
XLogP-1.84
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The IUPAC name of (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 11252155) is (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
What is the SMILES notation for (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The canonical SMILES for (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is O[C@@H]1[C@H]2[C@H](O)CCN2C[C@@H]1O.
What is the InChIKey of (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The InChIKey is VITWQXFCXWSTHM-UCROKIRRSA-N. The full InChI is InChI=1S/C7H13NO3/c9-4-1-2-8-3-5(10)7(11)6(4)8/h4-7,9-11H,1-3H2/t4-,5+,6-,7+/m1/s1.
What are the key properties of (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol has a molecular weight of 159.18 g/mol, XLogP of -1.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is sourced from PubChem (CID 11252155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).