(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[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 164682071

IUPAC(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOCC1OC(O[C@H]2CN3[C@@H]([C@@H](O)[C@H](O)[C@H]3CO)[C@@H]2O)C(O)C(O)C1O
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-ODKUAATMSA-N
MW367.35 g/mol
LogP-5.69
Rot. Bonds4

About (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[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-[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 164682071) 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-[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-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID164682071
Molecular FormulaC14H25NO10
Molecular Weight367.35 g/mol
Exact Mass367.15
IUPAC Name(1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOCC1OC(O[C@H]2CN3[C@@H]([C@@H](O)[C@H](O)[C@H]3CO)[C@@H]2O)C(O)C(O)C1O
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-ODKUAATMSA-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-[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-[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-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 164682071) is (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[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-[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-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is OCC1OC(O[C@H]2CN3[C@@H]([C@@H](O)[C@H](O)[C@H]3CO)[C@@H]2O)C(O)C(O)C1O.
What is the InChIKey of (1R,2R,3R,6S,7S,8S)-3-(hydroxymethyl)-6-[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-ODKUAATMSA-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-[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-[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-[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 164682071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).