1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

C26H34N2O5Si — CID 71650464

IUPAC1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C26H34N2O5Si/c1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23,29H,15-17H2,1-4H3,(H,27,30,31)/t18?,21-,22+,23+/m0/s1
InChIKeyKYIOWQKIGDBICI-KMWPLCEJSA-N
MW482.65 g/mol
LogP2.23
Rot. Bonds6

About 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 71650464) has the molecular formula C26H34N2O5Si and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID71650464
Molecular FormulaC26H34N2O5Si
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC Name1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C26H34N2O5Si/c1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23,29H,15-17H2,1-4H3,(H,27,30,31)/t18?,21-,22+,23+/m0/s1
InChIKeyKYIOWQKIGDBICI-KMWPLCEJSA-N
XLogP2.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione (CID 71650464) is 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione is CC1CN([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)C(=O)NC1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KYIOWQKIGDBICI-KMWPLCEJSA-N. The full InChI is InChI=1S/C26H34N2O5Si/c1-18-16-28(25(31)27-24(18)30)23-15-21(22(17-29)32-23)33-34(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23,29H,15-17H2,1-4H3,(H,27,30,31)/t18?,21-,22+,23+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione?
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 482.65 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 71650464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).