(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol

C12H23NO8 — CID 101411079

IUPAC(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@H](O)[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO8/c1-20-12-6(11(19)9(17)5(3-14)21-12)10(18)7-8(16)4(15)2-13-7/h4-19H,2-3H2,1H3/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1
InChIKeySDXKQXBBIDYBFE-GDQSFJPYSA-N
MW309.32 g/mol
LogP-4.26
Rot. Bonds4

About (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol

(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol (PubChem CID 101411079) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
PubChem CID101411079
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@H](O)[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C12H23NO8/c1-20-12-6(11(19)9(17)5(3-14)21-12)10(18)7-8(16)4(15)2-13-7/h4-19H,2-3H2,1H3/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1
InChIKeySDXKQXBBIDYBFE-GDQSFJPYSA-N
XLogP-4.26
TPSA151.87 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-4.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol with MolForge

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Related Compounds

(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 10803800
(2S,3R,4S)-2-[(S)-[(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-methoxyoxolan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
CID 10542895
(2R,3S,4R)-2-[(S)-[(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-methoxyoxolan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol
CID 10733663
2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
CID 134313664
(2R,3R,4S,5R)-4-[(R)-hydroxy-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methyl]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 10732469
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol (CID 101411079) is (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@H](O)[C@H]1NC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol?
The InChIKey is SDXKQXBBIDYBFE-GDQSFJPYSA-N. The full InChI is InChI=1S/C12H23NO8/c1-20-12-6(11(19)9(17)5(3-14)21-12)10(18)7-8(16)4(15)2-13-7/h4-19H,2-3H2,1H3/t4-,5+,6+,7-,8-,9+,10+,11+,12-/m0/s1.
What are the key properties of (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol?
(2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol has a molecular weight of 309.32 g/mol, XLogP of -4.26, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(R)-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-hydroxymethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 101411079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).