(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

C12H23NO8 — CID 10542895

IUPAC(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
SMILESCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H]([C@H](O)[C@@H]2NC[C@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C12H23NO8/c1-20-12-10(19)6(11(21-12)5(16)3-14)9(18)7-8(17)4(15)2-13-7/h4-19H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10+,11-,12+/m0/s1
InChIKeyKXKGJHNHKLGHHM-ZYAMEUKBSA-N
MW309.32 g/mol
LogP-4.26
Rot. Bonds5

About (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

(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 (PubChem CID 10542895) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10542895
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(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
SMILESCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H]([C@H](O)[C@@H]2NC[C@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C12H23NO8/c1-20-12-10(19)6(11(21-12)5(16)3-14)9(18)7-8(17)4(15)2-13-7/h4-19H,2-3H2,1H3/t4-,5+,6+,7+,8-,9-,10+,11-,12+/m0/s1
InChIKeyKXKGJHNHKLGHHM-ZYAMEUKBSA-N
XLogP-4.26
TPSA151.87 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
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 (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 with MolForge

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Related Compounds

(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
(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
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(3R,4S,5R,6R)-4-[(S)-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 10803800
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 122228900
[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
CID 100966696
(1R)-1-[(2R,3S)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56651209
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
(2S)-2-[(2Z)-2-[(2R,4S,5R)-2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyoxolan-3-ylidene]ethyl]pyrrolidine-3,4-diol
CID 134969826
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 100962082

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@@H]1O[C@@H]([C@H](O)CO)[C@H]([C@H](O)[C@@H]2NC[C@H](O)[C@@H]2O)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is KXKGJHNHKLGHHM-ZYAMEUKBSA-N. The full InChI is InChI=1S/C12H23NO8/c1-20-12-10(19)6(11(21-12)5(16)3-14)9(18)7-8(17)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 (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?
(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 has a molecular weight of 309.32 g/mol, XLogP of -4.26, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10542895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).