N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide

C26H47N5O6Si2 — CID 99865155

IUPACN-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NC=N[C@H]2[C@H]1N=CN2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O
InChIInChI=1S/C26H47N5O6Si2/c1-14(2)25(33)30-23-20-24(28-12-27-23)31(13-29-20)26-21(32)22-19(35-26)11-34-38(15(3)4,16(5)6)37-39(36-22,17(7)8)18(9)10/h12-22,24,26,32H,11H2,1-10H3,(H,27,28,30,33)/t19-,20+,21-,22-,24-,26-/m1/s1
InChIKeyAJICZMCECPOMNS-AYYJIMOESA-N
MW581.86 g/mol
LogP3.28
Rot. Bonds6

About N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide

N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide (PubChem CID 99865155) has the molecular formula C26H47N5O6Si2 and a molecular weight of 581.86 g/mol. Its IUPAC name is N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide
PubChem CID99865155
Molecular FormulaC26H47N5O6Si2
Molecular Weight581.86 g/mol
Exact Mass581.31
IUPAC NameN-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1=NC=N[C@H]2[C@H]1N=CN2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O
InChIInChI=1S/C26H47N5O6Si2/c1-14(2)25(33)30-23-20-24(28-12-27-23)31(13-29-20)26-21(32)22-19(35-26)11-34-38(15(3)4,16(5)6)37-39(36-22,17(7)8)18(9)10/h12-22,24,26,32H,11H2,1-10H3,(H,27,28,30,33)/t19-,20+,21-,22-,24-,26-/m1/s1
InChIKeyAJICZMCECPOMNS-AYYJIMOESA-N
XLogP3.28
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.86
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide?
The IUPAC name of N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide (CID 99865155) is N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide is CC(C)C(=O)NC1=NC=N[C@H]2[C@H]1N=CN2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O.
What is the InChIKey of N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide?
The InChIKey is AJICZMCECPOMNS-AYYJIMOESA-N. The full InChI is InChI=1S/C26H47N5O6Si2/c1-14(2)25(33)30-23-20-24(28-12-27-23)31(13-29-20)26-21(32)22-19(35-26)11-34-38(15(3)4,16(5)6)37-39(36-22,17(7)8)18(9)10/h12-22,24,26,32H,11H2,1-10H3,(H,27,28,30,33)/t19-,20+,21-,22-,24-,26-/m1/s1.
What are the key properties of N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide?
N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide has a molecular weight of 581.86 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5R)-9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4,5-dihydropurin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 99865155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).