(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one

C25H40N2O5Si2 — CID 101345446

IUPAC(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2[C@@H](Oc3nc4ccccc4c(=O)n32)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40N2O5Si2/c1-24(2,3)33(7,8)29-15-18-19(32-34(9,10)25(4,5)6)20-22(30-18)27-21(28)16-13-11-12-14-17(16)26-23(27)31-20/h11-14,18-20,22H,15H2,1-10H3/t18-,19-,20+,22-/m1/s1
InChIKeyXQFCNCYHBSCABB-XWSHUIEDSA-N
MW504.78 g/mol
LogP5.47
Rot. Bonds5

About (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one

(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one (PubChem CID 101345446) has the molecular formula C25H40N2O5Si2 and a molecular weight of 504.78 g/mol. Its IUPAC name is (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one.

Molecular Properties

Compound Name(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
PubChem CID101345446
Molecular FormulaC25H40N2O5Si2
Molecular Weight504.78 g/mol
Exact Mass504.25
IUPAC Name(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2[C@@H](Oc3nc4ccccc4c(=O)n32)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40N2O5Si2/c1-24(2,3)33(7,8)29-15-18-19(32-34(9,10)25(4,5)6)20-22(30-18)27-21(28)16-13-11-12-14-17(16)26-23(27)31-20/h11-14,18-20,22H,15H2,1-10H3/t18-,19-,20+,22-/m1/s1
InChIKeyXQFCNCYHBSCABB-XWSHUIEDSA-N
XLogP5.47
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.78
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one with MolForge

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Related Compounds

(2R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
CID 10983531
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,3,5-triazepane-2,4,6,7-tetrone
CID 135065849
2-(benzylamino)-9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 135491703
1-[(2S,3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]pyrrolidine-2,5-dione
CID 10556809
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 169173352
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 169066976
9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-(tritylsulfanylamino)-1H-purin-6-one
CID 135474573
[(2R,3R,4R,5R)-5-(2-acetamido-1-benzoyl-6-oxopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfinate
CID 175942514
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 139257485
N-[1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]benzamide
CID 122232762
[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 177391057
2-[1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]guanidine
CID 164756349

Frequently Asked Questions

What is the IUPAC name of (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The IUPAC name of (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one (CID 101345446) is (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one.
What is the SMILES notation for (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The canonical SMILES for (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2[C@@H](Oc3nc4ccccc4c(=O)n32)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The InChIKey is XQFCNCYHBSCABB-XWSHUIEDSA-N. The full InChI is InChI=1S/C25H40N2O5Si2/c1-24(2,3)33(7,8)29-15-18-19(32-34(9,10)25(4,5)6)20-22(30-18)27-21(28)16-13-11-12-14-17(16)26-23(27)31-20/h11-14,18-20,22H,15H2,1-10H3/t18-,19-,20+,22-/m1/s1.
What are the key properties of (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one has a molecular weight of 504.78 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one is sourced from PubChem (CID 101345446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).