lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate

C23H39LiN2O5Si2 — CID 23706883

IUPAClithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]2(C=Cc3cc(=O)nc([O-])n32)C[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C23H40N2O5Si2.Li/c1-21(2,3)31(7,8)28-15-18-17(30-32(9,10)22(4,5)6)14-23(29-18)12-11-16-13-19(26)24-20(27)25(16)23;/h11-13,17-18H,14-15H2,1-10H3,(H,24,26,27);/q;+1/p-1/t17-,18+,23+;/m0./s1
InChIKeyTYRLZDNQFVEKRD-ZTCYKGTMSA-M
MW486.69 g/mol
LogP1.20
Rot. Bonds5

About lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate

lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate (PubChem CID 23706883) has the molecular formula C23H39LiN2O5Si2 and a molecular weight of 486.69 g/mol. Its IUPAC name is lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate.

Molecular Properties

Compound Namelithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate
PubChem CID23706883
Molecular FormulaC23H39LiN2O5Si2
Molecular Weight486.69 g/mol
Exact Mass486.26
IUPAC Namelithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]2(C=Cc3cc(=O)nc([O-])n32)C[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C23H40N2O5Si2.Li/c1-21(2,3)31(7,8)28-15-18-17(30-32(9,10)22(4,5)6)14-23(29-18)12-11-16-13-19(26)24-20(27)25(16)23;/h11-13,17-18H,14-15H2,1-10H3,(H,24,26,27);/q;+1/p-1/t17-,18+,23+;/m0./s1
InChIKeyTYRLZDNQFVEKRD-ZTCYKGTMSA-M
XLogP1.20
TPSA85.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate?
The IUPAC name of lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate (CID 23706883) is lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate.
What is the SMILES notation for lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate?
The canonical SMILES for lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]2(C=Cc3cc(=O)nc([O-])n32)C[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate?
The InChIKey is TYRLZDNQFVEKRD-ZTCYKGTMSA-M. The full InChI is InChI=1S/C23H40N2O5Si2.Li/c1-21(2,3)31(7,8)28-15-18-17(30-32(9,10)22(4,5)6)14-23(29-18)12-11-16-13-19(26)24-20(27)25(16)23;/h11-13,17-18H,14-15H2,1-10H3,(H,24,26,27);/q;+1/p-1/t17-,18+,23+;/m0./s1.
What are the key properties of lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate?
lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate has a molecular weight of 486.69 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate is sourced from PubChem (CID 23706883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).