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

C7H13NO4 — CID 89102266

IUPAC(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
SMILESO[C@@H]1CN2C[C@H](O)[C@@H](O)C2[C@H]1O
InChIInChI=1S/C7H13NO4/c9-3-1-8-2-4(10)7(12)5(8)6(3)11/h3-7,9-12H,1-2H2/t3-,4+,5?,6+,7-
InChIKeyCXWWINPFWYPLRL-XPIIGSSCSA-N
MW175.18 g/mol
LogP-2.87
Rot. Bonds

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

(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol (PubChem CID 89102266) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol.

Molecular Properties

Compound Name(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
PubChem CID89102266
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
SMILESO[C@@H]1CN2C[C@H](O)[C@@H](O)C2[C@H]1O
InChIInChI=1S/C7H13NO4/c9-3-1-8-2-4(10)7(12)5(8)6(3)11/h3-7,9-12H,1-2H2/t3-,4+,5?,6+,7-
InChIKeyCXWWINPFWYPLRL-XPIIGSSCSA-N
XLogP-2.87
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The IUPAC name of (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol (CID 89102266) is (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol.
What is the SMILES notation for (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The canonical SMILES for (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol is O[C@@H]1CN2C[C@H](O)[C@@H](O)C2[C@H]1O.
What is the InChIKey of (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
The InChIKey is CXWWINPFWYPLRL-XPIIGSSCSA-N. The full InChI is InChI=1S/C7H13NO4/c9-3-1-8-2-4(10)7(12)5(8)6(3)11/h3-7,9-12H,1-2H2/t3-,4+,5?,6+,7-.
What are the key properties of (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol?
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol has a molecular weight of 175.18 g/mol, XLogP of -2.87, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol is sourced from PubChem (CID 89102266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).