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

C8H13NO6 — CID 67342442

IUPAC1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C(O)C(O)C2C(O)C(O)C(CO)N12
InChIInChI=1S/C8H13NO6/c10-1-2-4(11)5(12)3-6(13)7(14)8(15)9(2)3/h2-7,10-14H,1H2
InChIKeyHOHVSLSJVWYOPQ-UHFFFAOYSA-N
MW219.19 g/mol
LogP-3.98
Rot. Bonds1

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

1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 67342442) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID67342442
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C(O)C(O)C2C(O)C(O)C(CO)N12
InChIInChI=1S/C8H13NO6/c10-1-2-4(11)5(12)3-6(13)7(14)8(15)9(2)3/h2-7,10-14H,1H2
InChIKeyHOHVSLSJVWYOPQ-UHFFFAOYSA-N
XLogP-3.98
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-3.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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
6-Hydroxy-5-(hydroxymethyl)tetrahydro-1h-pyrrolizin-3(2h)-one
CID 139953818
(2R,5R,6R,7R,8R)-2,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 49843858
(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10583038
(1S,2R,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11309993
(1R,2S,6S,7R,8S)-1,2,6,7-tetrahydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11412827

Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 67342442) is 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C(O)C(O)C2C(O)C(O)C(CO)N12.
What is the InChIKey of 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is HOHVSLSJVWYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c10-1-2-4(11)5(12)3-6(13)7(14)8(15)9(2)3/h2-7,10-14H,1H2.
What are the key properties of 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 219.19 g/mol, XLogP of -3.98, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetrahydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 67342442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).