CID 66740922

C20H24N7O8P — CID 66740922

IUPAC—
SMILESCC(/N=[P+](\[O-])Oc1ccccc1OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(O)[C@@H]1O)C(=O)O
InChIInChI=1S/C20H24N7O8P/c1-9(17(29)30)26-36(32)35-11-6-4-3-5-10(11)33-7-12-14(28)20(2,31)18(34-12)27-8-23-13-15(21)24-19(22)25-16(13)27/h3-6,8-9,12,14,18,28,31H,7H2,1-2H3,(H,29,30)(H4,21,22,24,25)/t9?,12-,14-,18-,20-/m1/s1
InChIKeyKMBLQBYDHMOBGO-GUVIAALOSA-N
MW521.43 g/mol
LogP-0.21
Rot. Bonds8

About CID 66740922

CID 66740922 (PubChem CID 66740922) has the molecular formula C20H24N7O8P and a molecular weight of 521.43 g/mol.

Molecular Properties

Compound NameCID 66740922
PubChem CID66740922
Molecular FormulaC20H24N7O8P
Molecular Weight521.43 g/mol
Exact Mass521.14
IUPAC Name—
SMILESCC(/N=[P+](\[O-])Oc1ccccc1OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(O)[C@@H]1O)C(=O)O
InChIInChI=1S/C20H24N7O8P/c1-9(17(29)30)26-36(32)35-11-6-4-3-5-10(11)33-7-12-14(28)20(2,31)18(34-12)27-8-23-13-15(21)24-19(22)25-16(13)27/h3-6,8-9,12,14,18,28,31H,7H2,1-2H3,(H,29,30)(H4,21,22,24,25)/t9?,12-,14-,18-,20-/m1/s1
InChIKeyKMBLQBYDHMOBGO-GUVIAALOSA-N
XLogP-0.21
TPSA236.51 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

CID 90149962
CID 90149962
CID 66779465
CID 66779465
CID 87223111
CID 87223111
CID 66778253
CID 66778253
CID 66778715
CID 66778715
CID 90149996
CID 90149996
CID 118672221
CID 118672221
[2-[[(2R,3R,4S)-5-(2-amino-6-methoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy]naphthalen-1-yl]oxy-oxido-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]iminophosphanium
CID 140655401
CID 87223120
CID 87223120
CID 66779175
CID 66779175
[3-[[(2R,3R,4R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]-2-methylnaphthalen-1-yl]oxy-[(2S)-1-(2,2-dimethylpropoxy)-3-methyl-1-oxobutan-2-yl]imino-oxidophosphanium
CID 142710391
[2-[[(2R,3S,4S)-5-(2-amino-6-methoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy]naphthalen-1-yl]oxy-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]imino-oxidophosphanium
CID 140655416

Frequently Asked Questions

What is the IUPAC name of CID 66740922?
The IUPAC name of CID 66740922 (CID 66740922) is not available.
What is the SMILES notation for CID 66740922?
The canonical SMILES for CID 66740922 is CC(/N=[P+](\[O-])Oc1ccccc1OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(O)[C@@H]1O)C(=O)O.
What is the InChIKey of CID 66740922?
The InChIKey is KMBLQBYDHMOBGO-GUVIAALOSA-N. The full InChI is InChI=1S/C20H24N7O8P/c1-9(17(29)30)26-36(32)35-11-6-4-3-5-10(11)33-7-12-14(28)20(2,31)18(34-12)27-8-23-13-15(21)24-19(22)25-16(13)27/h3-6,8-9,12,14,18,28,31H,7H2,1-2H3,(H,29,30)(H4,21,22,24,25)/t9?,12-,14-,18-,20-/m1/s1.
What are the key properties of CID 66740922?
CID 66740922 has a molecular weight of 521.43 g/mol, XLogP of -0.21, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66740922 is sourced from PubChem (CID 66740922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).