(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C19H35NO14 — CID 10391299

IUPAC(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C19H35NO14/c21-2-1-6-16(10(25)7(3-22)20-6)33-19-15(30)17(12(27)9(5-24)32-19)34-18-14(29)13(28)11(26)8(4-23)31-18/h6-30H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18+,19+/m1/s1
InChIKeyVQRBHGFKZAPWHE-LTHFBJLESA-N
MW501.48 g/mol
LogP-6.93
Rot. Bonds9

About (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10391299) has the molecular formula C19H35NO14 and a molecular weight of 501.48 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10391299
Molecular FormulaC19H35NO14
Molecular Weight501.48 g/mol
Exact Mass501.21
IUPAC Name(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C19H35NO14/c21-2-1-6-16(10(25)7(3-22)20-6)33-19-15(30)17(12(27)9(5-24)32-19)34-18-14(29)13(28)11(26)8(4-23)31-18/h6-30H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18+,19+/m1/s1
InChIKeyVQRBHGFKZAPWHE-LTHFBJLESA-N
XLogP-6.93
TPSA251.25 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500501.48
LogP ≤ 5-6.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-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,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10391299) is (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is VQRBHGFKZAPWHE-LTHFBJLESA-N. The full InChI is InChI=1S/C19H35NO14/c21-2-1-6-16(10(25)7(3-22)20-6)33-19-15(30)17(12(27)9(5-24)32-19)34-18-14(29)13(28)11(26)8(4-23)31-18/h6-30H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18+,19+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 501.48 g/mol, XLogP of -6.93, 9 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidin-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10391299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).