(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

C12H23NO7 — CID 10732469

IUPAC(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCOC1O[C@H](CO)[C@H](O)[C@H]([C@@H](O)[C@@H]2C[C@@H](O)CN2)[C@H]1O
InChIInChI=1S/C12H23NO7/c1-19-12-11(18)8(10(17)7(4-14)20-12)9(16)6-2-5(15)3-13-6/h5-18H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12?/m1/s1
InChIKeyRWXOSDBQGNIZJW-PPKWYRGZSA-N
MW293.32 g/mol
LogP-3.23
Rot. Bonds4

About (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (PubChem CID 10732469) has the molecular formula C12H23NO7 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
PubChem CID10732469
Molecular FormulaC12H23NO7
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCOC1O[C@H](CO)[C@H](O)[C@H]([C@@H](O)[C@@H]2C[C@@H](O)CN2)[C@H]1O
InChIInChI=1S/C12H23NO7/c1-19-12-11(18)8(10(17)7(4-14)20-12)9(16)6-2-5(15)3-13-6/h5-18H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12?/m1/s1
InChIKeyRWXOSDBQGNIZJW-PPKWYRGZSA-N
XLogP-3.23
TPSA131.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 5-3.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (CID 10732469) is (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is COC1O[C@H](CO)[C@H](O)[C@H]([C@@H](O)[C@@H]2C[C@@H](O)CN2)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The InChIKey is RWXOSDBQGNIZJW-PPKWYRGZSA-N. The full InChI is InChI=1S/C12H23NO7/c1-19-12-11(18)8(10(17)7(4-14)20-12)9(16)6-2-5(15)3-13-6/h5-18H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol has a molecular weight of 293.32 g/mol, XLogP of -3.23, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 10732469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).