(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol

C10H19NO6 — CID 70077095

IUPAC(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)(CON2CCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO6/c12-5-7-8(13)9(14)10(15,17-7)6-16-11-3-1-2-4-11/h7-9,12-15H,1-6H2/t7-,8+,9-,10?/m0/s1
InChIKeyBBOCSYGGMUFJGY-GFMAATOTSA-N
MW249.26 g/mol
LogP-2.18
Rot. Bonds4

About (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol

(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol (PubChem CID 70077095) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol
PubChem CID70077095
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1OC(O)(CON2CCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO6/c12-5-7-8(13)9(14)10(15,17-7)6-16-11-3-1-2-4-11/h7-9,12-15H,1-6H2/t7-,8+,9-,10?/m0/s1
InChIKeyBBOCSYGGMUFJGY-GFMAATOTSA-N
XLogP-2.18
TPSA102.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol (CID 70077095) is (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol is OC[C@@H]1OC(O)(CON2CCCC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol?
The InChIKey is BBOCSYGGMUFJGY-GFMAATOTSA-N. The full InChI is InChI=1S/C10H19NO6/c12-5-7-8(13)9(14)10(15,17-7)6-16-11-3-1-2-4-11/h7-9,12-15H,1-6H2/t7-,8+,9-,10?/m0/s1.
What are the key properties of (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol?
(3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol has a molecular weight of 249.26 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-(hydroxymethyl)-2-(pyrrolidin-1-yloxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 70077095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).