(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one

C18H33NO6 — CID 101096882

IUPAC(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
SMILESO=C(CCCCO)CCCC[C@@H](O)[C@@H]1CCC2[C@@H](O)[C@H](O)[C@@H](CO)N21
InChIInChI=1S/C18H33NO6/c20-10-4-3-6-12(22)5-1-2-7-16(23)13-8-9-14-17(24)18(25)15(11-21)19(13)14/h13-18,20-21,23-25H,1-11H2/t13-,14?,15+,16+,17+,18+/m0/s1
InChIKeyWGEIJHUJKRVXNI-YQVSHGKTSA-N
MW359.46 g/mol
LogP-0.43
Rot. Bonds11

About (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one

(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one (PubChem CID 101096882) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one.

Molecular Properties

Compound Name(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
PubChem CID101096882
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC Name(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
SMILESO=C(CCCCO)CCCC[C@@H](O)[C@@H]1CCC2[C@@H](O)[C@H](O)[C@@H](CO)N21
InChIInChI=1S/C18H33NO6/c20-10-4-3-6-12(22)5-1-2-7-16(23)13-8-9-14-17(24)18(25)15(11-21)19(13)14/h13-18,20-21,23-25H,1-11H2/t13-,14?,15+,16+,17+,18+/m0/s1
InChIKeyWGEIJHUJKRVXNI-YQVSHGKTSA-N
XLogP-0.43
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one with MolForge

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Related Compounds

Hyacinthacine C3
CID 16737238
Hyacinthacine C2
CID 16737240
(10R)-10-[(3S,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one
CID 9998578
(5S,6S,7S,8S)-5-[(1S)-1,2-dihydroxyethyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44424517
(1R,2R,3R,5R,8R)-3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 162896325
(1S,2R,3R,5S,8R)-3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 10798184
(1S,2R,3R,5R,8R)-3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 10608216
(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 24851479
(1R,2S,3S,5S,7R,8R)-3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 132583141
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
3,5-bis(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 73316636
1-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]heptan-2-one
CID 148870397

Frequently Asked Questions

What is the IUPAC name of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one?
The IUPAC name of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one (CID 101096882) is (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one.
What is the SMILES notation for (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one?
The canonical SMILES for (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one is O=C(CCCCO)CCCC[C@@H](O)[C@@H]1CCC2[C@@H](O)[C@H](O)[C@@H](CO)N21.
What is the InChIKey of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one?
The InChIKey is WGEIJHUJKRVXNI-YQVSHGKTSA-N. The full InChI is InChI=1S/C18H33NO6/c20-10-4-3-6-12(22)5-1-2-7-16(23)13-8-9-14-17(24)18(25)15(11-21)19(13)14/h13-18,20-21,23-25H,1-11H2/t13-,14?,15+,16+,17+,18+/m0/s1.
What are the key properties of (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one?
(10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one has a molecular weight of 359.46 g/mol, XLogP of -0.43, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[(3S,5R,6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-1,10-dihydroxydecan-5-one is sourced from PubChem (CID 101096882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).