CID 135964997

C10H10N4O4Si2 — CID 135964997

IUPAC—
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[Si])C[C@H]1O[Si]
InChIInChI=1S/C10H10N4O4Si2/c15-9-7-8(11-3-12-9)14(4-13-7)10-6(18-20)1-5(17-10)2-16-19/h3-6,10H,1-2H2,(H,11,12,15)/t5-,6+,10+/m0/s1
InChIKeyRBHJKWDOTSNQBE-BAJZRUMYSA-N
MW306.39 g/mol
LogP-1.02
Rot. Bonds4

About CID 135964997

CID 135964997 (PubChem CID 135964997) has the molecular formula C10H10N4O4Si2 and a molecular weight of 306.39 g/mol.

Molecular Properties

Compound NameCID 135964997
PubChem CID135964997
Molecular FormulaC10H10N4O4Si2
Molecular Weight306.39 g/mol
Exact Mass306.02
IUPAC Name—
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[Si])C[C@H]1O[Si]
InChIInChI=1S/C10H10N4O4Si2/c15-9-7-8(11-3-12-9)14(4-13-7)10-6(18-20)1-5(17-10)2-16-19/h3-6,10H,1-2H2,(H,11,12,15)/t5-,6+,10+/m0/s1
InChIKeyRBHJKWDOTSNQBE-BAJZRUMYSA-N
XLogP-1.02
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
[(2S,4R,5R)-4-decanoyloxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl decanoate
CID 135968504
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
[(2S,4R,5R)-4-fluoro-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methylsulfamic acid
CID 147118177
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;mercury
CID 175730179
9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-1H-purin-6-one
CID 141261243
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
9-[(2S,3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136716934

Frequently Asked Questions

What is the IUPAC name of CID 135964997?
The IUPAC name of CID 135964997 (CID 135964997) is not available.
What is the SMILES notation for CID 135964997?
The canonical SMILES for CID 135964997 is O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[Si])C[C@H]1O[Si].
What is the InChIKey of CID 135964997?
The InChIKey is RBHJKWDOTSNQBE-BAJZRUMYSA-N. The full InChI is InChI=1S/C10H10N4O4Si2/c15-9-7-8(11-3-12-9)14(4-13-7)10-6(18-20)1-5(17-10)2-16-19/h3-6,10H,1-2H2,(H,11,12,15)/t5-,6+,10+/m0/s1.
What are the key properties of CID 135964997?
CID 135964997 has a molecular weight of 306.39 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135964997 is sourced from PubChem (CID 135964997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).