(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol

C14H19NO4 — CID 166912873

IUPAC(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol
SMILESC[C@](O)(c1ccc2c(c1)CC2)[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO4/c1-14(18,12-10(16)11(17)13(15)19-12)9-5-4-7-2-3-8(7)6-9/h4-6,10-13,16-18H,2-3,15H2,1H3/t10-,11+,12-,13+,14-/m0/s1
InChIKeyUHNUELVKBCKHRU-VJTDZRGJSA-N
MW265.31 g/mol
LogP-0.60
Rot. Bonds2

About (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol

(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol (PubChem CID 166912873) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol
PubChem CID166912873
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol
SMILESC[C@](O)(c1ccc2c(c1)CC2)[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO4/c1-14(18,12-10(16)11(17)13(15)19-12)9-5-4-7-2-3-8(7)6-9/h4-6,10-13,16-18H,2-3,15H2,1H3/t10-,11+,12-,13+,14-/m0/s1
InChIKeyUHNUELVKBCKHRU-VJTDZRGJSA-N
XLogP-0.60
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol (CID 166912873) is (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol is C[C@](O)(c1ccc2c(c1)CC2)[C@H]1O[C@@H](N)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol?
The InChIKey is UHNUELVKBCKHRU-VJTDZRGJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(18,12-10(16)11(17)13(15)19-12)9-5-4-7-2-3-8(7)6-9/h4-6,10-13,16-18H,2-3,15H2,1H3/t10-,11+,12-,13+,14-/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol?
(2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol has a molecular weight of 265.31 g/mol, XLogP of -0.60, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-amino-5-[(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-hydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 166912873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).