(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H25NO9 — CID 46192668

IUPAC(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN12
InChIInChI=1S/C14H25NO9/c16-3-7-10(19)9(18)6-1-5(2-15(6)7)23-14-13(22)12(21)11(20)8(4-17)24-14/h5-14,16-22H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1
InChIKeyCIFMOKWNNKSTNC-NOMZAEOMSA-N
MW351.35 g/mol
LogP-4.66
Rot. Bonds4

About (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 46192668) has the molecular formula C14H25NO9 and a molecular weight of 351.35 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID46192668
Molecular FormulaC14H25NO9
Molecular Weight351.35 g/mol
Exact Mass351.15
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN12
InChIInChI=1S/C14H25NO9/c16-3-7-10(19)9(18)6-1-5(2-15(6)7)23-14-13(22)12(21)11(20)8(4-17)24-14/h5-14,16-22H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1
InChIKeyCIFMOKWNNKSTNC-NOMZAEOMSA-N
XLogP-4.66
TPSA163.31 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.35
LogP ≤ 5-4.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 46192668) is (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CN12.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is CIFMOKWNNKSTNC-NOMZAEOMSA-N. The full InChI is InChI=1S/C14H25NO9/c16-3-7-10(19)9(18)6-1-5(2-15(6)7)23-14-13(22)12(21)11(20)8(4-17)24-14/h5-14,16-22H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 351.35 g/mol, XLogP of -4.66, 4 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-[[(2R,5R,6R,7R,8R)-6,7-dihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 46192668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).