2'-Deoxy-2',2'-difluorouridine-13C,15N2

C9H11F2N2O5 — CID 71434085

IUPAC—
SMILESO=C1CC[15N]([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)[13C](=O)[15N]1
InChIInChI=1S/C9H11F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4,6-7,14,16H,1-3H2/t4-,6-,7-/m1/s1/i8+1,12+1,13+1
InChIKeyWUIVKAJAZTUFJH-TZHUGDOOSA-N
MW268.17 g/mol
LogP-1.34
Rot. Bonds2

About 2'-Deoxy-2',2'-difluorouridine-13C,15N2

2'-Deoxy-2',2'-difluorouridine-13C,15N2 (PubChem CID 71434085) has the molecular formula C9H11F2N2O5 and a molecular weight of 268.17 g/mol.

Molecular Properties

Compound Name2'-Deoxy-2',2'-difluorouridine-13C,15N2
PubChem CID71434085
Molecular FormulaC9H11F2N2O5
Molecular Weight268.17 g/mol
Exact Mass268.06
IUPAC Name—
SMILESO=C1CC[15N]([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)[13C](=O)[15N]1
InChIInChI=1S/C9H11F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4,6-7,14,16H,1-3H2/t4-,6-,7-/m1/s1/i8+1,12+1,13+1
InChIKeyWUIVKAJAZTUFJH-TZHUGDOOSA-N
XLogP-1.34
TPSA101.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25229672
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one;(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 161319637
1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 162572157
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-5-one
CID 170898620
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
potassium;4-amino-1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;carbanide
CID 156727396
6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
CID 152781328
1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 156589113
3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960

Frequently Asked Questions

What is the IUPAC name of 2'-Deoxy-2',2'-difluorouridine-13C,15N2?
The IUPAC name of 2'-Deoxy-2',2'-difluorouridine-13C,15N2 (CID 71434085) is not available.
What is the SMILES notation for 2'-Deoxy-2',2'-difluorouridine-13C,15N2?
The canonical SMILES for 2'-Deoxy-2',2'-difluorouridine-13C,15N2 is O=C1CC[15N]([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)[13C](=O)[15N]1.
What is the InChIKey of 2'-Deoxy-2',2'-difluorouridine-13C,15N2?
The InChIKey is WUIVKAJAZTUFJH-TZHUGDOOSA-N. The full InChI is InChI=1S/C9H11F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4,6-7,14,16H,1-3H2/t4-,6-,7-/m1/s1/i8+1,12+1,13+1.
What are the key properties of 2'-Deoxy-2',2'-difluorouridine-13C,15N2?
2'-Deoxy-2',2'-difluorouridine-13C,15N2 has a molecular weight of 268.17 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-Deoxy-2',2'-difluorouridine-13C,15N2 is sourced from PubChem (CID 71434085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).