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

C10H19NO5 — CID 122218120

IUPAC(1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESC[C@@H]1[C@H](O)[C@H](CO)[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21
InChIInChI=1S/C10H19NO5/c1-4-8(14)5(2-12)7-10(16)9(15)6(3-13)11(4)7/h4-10,12-16H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-,10-/m1/s1
InChIKeyWZWWCYHKAUCYID-KPOOTMIGSA-N
MW233.26 g/mol
LogP-2.88
Rot. Bonds2

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

(1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (PubChem CID 122218120) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.

Molecular Properties

Compound Name(1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
PubChem CID122218120
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESC[C@@H]1[C@H](O)[C@H](CO)[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21
InChIInChI=1S/C10H19NO5/c1-4-8(14)5(2-12)7-10(16)9(15)6(3-13)11(4)7/h4-10,12-16H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-,10-/m1/s1
InChIKeyWZWWCYHKAUCYID-KPOOTMIGSA-N
XLogP-2.88
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol with MolForge

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Related Compounds

(1S,2S,3S,5R,6R,7S,8S)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 53494397
(1S,2R,3S,5R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 102084856
(1R,2S,3R,5S,8S)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 101446174
(1S,2R,3R,5R,8R)-3-(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11127013
(1R,2S,3R,5S,8aS)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
CID 102530370
(1R,2R,3S,5S,8aR)-3-(hydroxymethyl)-5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
CID 122392067
(1S,2S,3S,5R,6R,7R,8R)-5-(hydroxymethyl)-3-methyl-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 56930085
(1S,2S,3S,5S,7S,8S)-5-(hydroxymethyl)-3-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 134861827
(1S,2R,3R,7R,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 14164816
(1R,2R,3R,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 16760066
(1R,2R,3R,8S,8aR)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 10774503
(1R,2R,3R,5R,7R,8R)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11254004

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The IUPAC name of (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (CID 122218120) is (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.
What is the SMILES notation for (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The canonical SMILES for (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is C[C@@H]1[C@H](O)[C@H](CO)[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)N21.
What is the InChIKey of (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The InChIKey is WZWWCYHKAUCYID-KPOOTMIGSA-N. The full InChI is InChI=1S/C10H19NO5/c1-4-8(14)5(2-12)7-10(16)9(15)6(3-13)11(4)7/h4-10,12-16H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-,10-/m1/s1.
What are the key properties of (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
(1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol has a molecular weight of 233.26 g/mol, XLogP of -2.88, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R,6R,7S,8R)-3,7-bis(hydroxymethyl)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is sourced from PubChem (CID 122218120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).