CID 66741662

C20H24N7O7P — CID 66741662

IUPAC—
SMILESCC[C@@](C)(/N=[P+](\[O-])Oc1ccccc1OCC1OC[C@H](n2cnc3c(N)nc(N)nc32)O1)C(=O)O
InChIInChI=1S/C20H24N7O7P/c1-3-20(2,18(28)29)26-35(30)34-12-7-5-4-6-11(12)31-9-14-32-8-13(33-14)27-10-23-15-16(21)24-19(22)25-17(15)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,28,29)(H4,21,22,24,25)/t13-,14?,20-/m1/s1
InChIKeyHCWXTNSJSRXOJI-GVZCWWSKSA-N
MW505.43 g/mol
LogP1.43
Rot. Bonds9

About CID 66741662

CID 66741662 (PubChem CID 66741662) has the molecular formula C20H24N7O7P and a molecular weight of 505.43 g/mol.

Molecular Properties

Compound NameCID 66741662
PubChem CID66741662
Molecular FormulaC20H24N7O7P
Molecular Weight505.43 g/mol
Exact Mass505.15
IUPAC Name—
SMILESCC[C@@](C)(/N=[P+](\[O-])Oc1ccccc1OCC1OC[C@H](n2cnc3c(N)nc(N)nc32)O1)C(=O)O
InChIInChI=1S/C20H24N7O7P/c1-3-20(2,18(28)29)26-35(30)34-12-7-5-4-6-11(12)31-9-14-32-8-13(33-14)27-10-23-15-16(21)24-19(22)25-17(15)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,28,29)(H4,21,22,24,25)/t13-,14?,20-/m1/s1
InChIKeyHCWXTNSJSRXOJI-GVZCWWSKSA-N
XLogP1.43
TPSA205.28 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze CID 66741662 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)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
CID 118700032
[(2S,4R)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10068086
[(2S,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate
CID 10022365
CID 66740922
CID 66740922
ethyl (2S)-2-[[[(2R,4R)-4-(2-amino-6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 57345285
1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid
CID 22986588
tert-butyl-[[4-(6-chloro-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methoxy]-diphenylsilane
CID 54310455
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]-cyclopropylcarbamic acid
CID 70145053
2-[[(2S,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-methyloxolan-2-yl]methoxy]-2-benzylpropanedioic acid
CID 135182674
[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methanol;[4-(6-aminopurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate;[2-(benzoyloxymethyl)-1,3-dioxolan-4-yl] 3-chlorobenzoate;[4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 158422573
[5-(2-amino-6-chloropurin-9-yl)oxolan-3-yl]methyl benzoate
CID 11222561

Frequently Asked Questions

What is the IUPAC name of CID 66741662?
The IUPAC name of CID 66741662 (CID 66741662) is not available.
What is the SMILES notation for CID 66741662?
The canonical SMILES for CID 66741662 is CC[C@@](C)(/N=[P+](\[O-])Oc1ccccc1OCC1OC[C@H](n2cnc3c(N)nc(N)nc32)O1)C(=O)O.
What is the InChIKey of CID 66741662?
The InChIKey is HCWXTNSJSRXOJI-GVZCWWSKSA-N. The full InChI is InChI=1S/C20H24N7O7P/c1-3-20(2,18(28)29)26-35(30)34-12-7-5-4-6-11(12)31-9-14-32-8-13(33-14)27-10-23-15-16(21)24-19(22)25-17(15)27/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,28,29)(H4,21,22,24,25)/t13-,14?,20-/m1/s1.
What are the key properties of CID 66741662?
CID 66741662 has a molecular weight of 505.43 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66741662 is sourced from PubChem (CID 66741662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).