(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol

C12H17NO7 — CID 102593926

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2ccc(O)cn2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H17NO7/c14-4-8-9(16)10(17)11(18)12(20-8)19-5-6-1-2-7(15)3-13-6/h1-3,8-12,14-18H,4-5H2/t8-,9-,10+,11-,12+/m1/s1
InChIKeyZITYYFJCCLLQSE-ZIQFBCGOSA-N
MW287.27 g/mol
LogP-1.90
Rot. Bonds4

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol (PubChem CID 102593926) has the molecular formula C12H17NO7 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
PubChem CID102593926
Molecular FormulaC12H17NO7
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2ccc(O)cn2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H17NO7/c14-4-8-9(16)10(17)11(18)12(20-8)19-5-6-1-2-7(15)3-13-6/h1-3,8-12,14-18H,4-5H2/t8-,9-,10+,11-,12+/m1/s1
InChIKeyZITYYFJCCLLQSE-ZIQFBCGOSA-N
XLogP-1.90
TPSA132.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol (CID 102593926) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCc2ccc(O)cn2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol?
The InChIKey is ZITYYFJCCLLQSE-ZIQFBCGOSA-N. The full InChI is InChI=1S/C12H17NO7/c14-4-8-9(16)10(17)11(18)12(20-8)19-5-6-1-2-7(15)3-13-6/h1-3,8-12,14-18H,4-5H2/t8-,9-,10+,11-,12+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol has a molecular weight of 287.27 g/mol, XLogP of -1.90, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102593926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).