[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)

C35H79N8O14P3 — CID 66575718

IUPAC[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)
SMILESCCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C[C@@]1(C(N)=O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H19N4O14P3.4C6H15N/c1-11(8(13)17)7(16)5(27-9(11)15-3-2-6(12)14-10(15)18)4-26-31(22,23)29-32(24,25)28-30(19,20)21;4*1-4-7(5-2)6-3/h2-3,5,7,9,16H,4H2,1H3,(H2,13,17)(H,22,23)(H,24,25)(H2,12,14,18)(H2,19,20,21);4*4-6H2,1-3H3/t5-,7-,9-,11+;;;;/m1..../s1
InChIKeyFMJGVJHMWHDUCV-YOELHHHKSA-N
MW928.98 g/mol
LogP3.31
Rot. Bonds21

About [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) (PubChem CID 66575718) has the molecular formula C35H79N8O14P3 and a molecular weight of 928.98 g/mol. Its IUPAC name is [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine).

Molecular Properties

Compound Name[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)
PubChem CID66575718
Molecular FormulaC35H79N8O14P3
Molecular Weight928.98 g/mol
Exact Mass928.49
IUPAC Name[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)
SMILESCCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C[C@@]1(C(N)=O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H19N4O14P3.4C6H15N/c1-11(8(13)17)7(16)5(27-9(11)15-3-2-6(12)14-10(15)18)4-26-31(22,23)29-32(24,25)28-30(19,20)21;4*1-4-7(5-2)6-3/h2-3,5,7,9,16H,4H2,1H3,(H2,13,17)(H,22,23)(H,24,25)(H2,12,14,18)(H2,19,20,21);4*4-6H2,1-3H3/t5-,7-,9-,11+;;;;/m1..../s1
InChIKeyFMJGVJHMWHDUCV-YOELHHHKSA-N
XLogP3.31
TPSA306.24 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.98
LogP ≤ 53.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) with MolForge

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Related Compounds

[[(2R,3R,5R)-5-(4-amino-2-oxo(213C,1,3-15N2)pyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 71317051
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 58364912
[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 145393440
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 159870977
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 23725124
[[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 171699329
[[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 174935633
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methylideneoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 121487803
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N,N-dibutylbutan-1-amine
CID 86757612
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 67331935
[[(2R,3R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 146173739
benzyl (2S)-2-[[[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-phenoxyphosphoryl]amino]propanoate;bis(N,N-diethylethanamine)
CID 175689406

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)?
The IUPAC name of [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) (CID 66575718) is [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine).
What is the SMILES notation for [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)?
The canonical SMILES for [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) is CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C[C@@]1(C(N)=O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)?
The InChIKey is FMJGVJHMWHDUCV-YOELHHHKSA-N. The full InChI is InChI=1S/C11H19N4O14P3.4C6H15N/c1-11(8(13)17)7(16)5(27-9(11)15-3-2-6(12)14-10(15)18)4-26-31(22,23)29-32(24,25)28-30(19,20)21;4*1-4-7(5-2)6-3/h2-3,5,7,9,16H,4H2,1H3,(H2,13,17)(H,22,23)(H,24,25)(H2,12,14,18)(H2,19,20,21);4*4-6H2,1-3H3/t5-,7-,9-,11+;;;;/m1..../s1.
What are the key properties of [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine)?
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) has a molecular weight of 928.98 g/mol, XLogP of 3.31, 21 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-carbamoyl-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tetrakis(N,N-diethylethanamine) is sourced from PubChem (CID 66575718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).