(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

C12H23NO8 — CID 10733663

IUPAC(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
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-/m1/s1
InChIKeyKXKGJHNHKLGHHM-AEEGTDTOSA-N
MW309.32 g/mol
LogP-4.26
Rot. Bonds5

About (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

(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 (PubChem CID 10733663) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10733663
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(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
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-/m1/s1
InChIKeyKXKGJHNHKLGHHM-AEEGTDTOSA-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 (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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 (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?
The InChIKey is KXKGJHNHKLGHHM-AEEGTDTOSA-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-/m1/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 10733663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).