(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

C14H25NO10 — CID 11337580

IUPAC(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN21
InChIInChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2/t4-,5+,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1
InChIKeyKQYACACELNVFOY-ZCOZCNKCSA-N
MW367.35 g/mol
LogP-5.69
Rot. Bonds4

About (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (PubChem CID 11337580) has the molecular formula C14H25NO10 and a molecular weight of 367.35 g/mol. Its IUPAC name is (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.

Molecular Properties

Compound Name(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID11337580
Molecular FormulaC14H25NO10
Molecular Weight367.35 g/mol
Exact Mass367.15
IUPAC Name(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN21
InChIInChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2/t4-,5+,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1
InChIKeyKQYACACELNVFOY-ZCOZCNKCSA-N
XLogP-5.69
TPSA183.54 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500367.35
LogP ≤ 5-5.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The IUPAC name of (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 11337580) is (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
What is the SMILES notation for (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The canonical SMILES for (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN21.
What is the InChIKey of (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The InChIKey is KQYACACELNVFOY-ZCOZCNKCSA-N. The full InChI is InChI=1S/C14H25NO10/c16-2-4-8(18)11(21)7-9(19)5(1-15(4)7)24-14-13(23)12(22)10(20)6(3-17)25-14/h4-14,16-23H,1-3H2/t4-,5+,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol has a molecular weight of 367.35 g/mol, XLogP of -5.69, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is sourced from PubChem (CID 11337580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).