(2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

C15H22FN7O3 — CID 14722772

About (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol (PubChem CID 14722772) has the molecular formula C15H22FN7O3 and a molecular weight of 367.39 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
• PubChem CID: 14722772
• Molecular Formula: C15H22FN7O3
• Molecular Weight: 367.39 g/mol
• Exact Mass: 367.18
• IUPAC Name: (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
• SMILES: CN(C/C(F)=C/CN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C15H22FN7O3/c1-22(4-8(16)2-3-17)5-9-11(24)12(25)15(26-9)23-7-21-10-13(18)19-6-20-14(10)23/h2,6-7,9,11-12,15,24-25H,3-5,17H2,1H3,(H2,18,19,20)/b8-2-/t9-,11-,12-,15-/m1/s1
• InChIKey: YCRGTNUIQTYZCY-BAJUWZQUSA-N
• XLogP: -1.23
• TPSA: 148.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.39
LogP ≤ 5	-1.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol (CID 14722772) is (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol is CN(C/C(F)=C/CN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?

The InChIKey is YCRGTNUIQTYZCY-BAJUWZQUSA-N. The full InChI is InChI=1S/C15H22FN7O3/c1-22(4-8(16)2-3-17)5-9-11(24)12(25)15(26-9)23-7-21-10-13(18)19-6-20-14(10)23/h2,6-7,9,11-12,15,24-25H,3-5,17H2,1H3,(H2,18,19,20)/b8-2-/t9-,11-,12-,15-/m1/s1.

What are the key properties of (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?

(2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol has a molecular weight of 367.39 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-2-[[[(Z)-4-amino-2-fluorobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 14722772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).