(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol

C7H15NO5 — CID 122228900

IUPAC(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO5/c1-12-7-4(8)5(11)6(13-7)3(10)2-9/h3-7,9-11H,2,8H2,1H3/t3-,4+,5-,6-,7-/m1/s1
InChIKeyXDBSEDXAMZMJGE-IECVIRLLSA-N
MW193.20 g/mol
LogP-2.60
Rot. Bonds3

About (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 122228900) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
PubChem CID122228900
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO5/c1-12-7-4(8)5(11)6(13-7)3(10)2-9/h3-7,9-11H,2,8H2,1H3/t3-,4+,5-,6-,7-/m1/s1
InChIKeyXDBSEDXAMZMJGE-IECVIRLLSA-N
XLogP-2.60
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2S,3R,4R,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 134823873
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
CID 100966696
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
5-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-2-[(1S)-1,2-dihydroxyethyl]oxane-3,4-diol
CID 137417284
(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 101201136
(2R,3S,4S,5S,6S)-2-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 163186603
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol (CID 122228900) is (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol is CO[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1N.
What is the InChIKey of (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is XDBSEDXAMZMJGE-IECVIRLLSA-N. The full InChI is InChI=1S/C7H15NO5/c1-12-7-4(8)5(11)6(13-7)3(10)2-9/h3-7,9-11H,2,8H2,1H3/t3-,4+,5-,6-,7-/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 193.20 g/mol, XLogP of -2.60, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 122228900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).