(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C7H11NO5 — CID 11309993

IUPAC(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@@H](O)CN12
InChIInChI=1S/C7H11NO5/c9-2-1-8-3(4(2)10)5(11)6(12)7(8)13/h2-6,9-12H,1H2/t2-,3-,4-,5-,6+/m0/s1
InChIKeyWFBKFEXOYZSTRG-GKFJPSPNSA-N
MW189.17 g/mol
LogP-3.35
Rot. Bonds

About (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 11309993) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID11309993
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@@H](O)CN12
InChIInChI=1S/C7H11NO5/c9-2-1-8-3(4(2)10)5(11)6(12)7(8)13/h2-6,9-12H,1H2/t2-,3-,4-,5-,6+/m0/s1
InChIKeyWFBKFEXOYZSTRG-GKFJPSPNSA-N
XLogP-3.35
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-3.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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Related Compounds

1,2-Dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44406623
(5S,6S,7S,8S)-5-[(1S)-1,2-dihydroxyethyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44424517
(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 24851479
(1R,2S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101844101
(1R,2S,6R,8R)-1,2,6-trihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 102335278
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro-1H-pyrrolizin-3-one
CID 139083129
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
1,2,6,7-Tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 67342442
(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10583038
(1R,2S,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11412827
(1R,2S,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 21573873

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 11309993) is (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@@H](O)CN12.
What is the InChIKey of (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is WFBKFEXOYZSTRG-GKFJPSPNSA-N. The full InChI is InChI=1S/C7H11NO5/c9-2-1-8-3(4(2)10)5(11)6(12)7(8)13/h2-6,9-12H,1H2/t2-,3-,4-,5-,6+/m0/s1.
What are the key properties of (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 189.17 g/mol, XLogP of -3.35, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 11309993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).