Tsao-C

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Basic information

CAS: 142102-78-1
Standard SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)C12OS(=O)(=O)C=C2N
InChIKey: GEWVLOQCXLNTOR-BVSLTHQCSA-N
Molecular formula: C23H42N4O7SSi2
Average molar mass: 574.8 g/mol
Monoisotopic mass: 574.23127393

Names & identifiers

Preferred name: Tsao-C
IUPAC: 4-amino-1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]pyrimidin-2-one
English name: TSAO-C
Molecular formula: C23H42N4O7SSi2
Molecular weight: 574.844

Names & synonyms

2',5'diSilylSpiroCTSAO-C142102-78-1(1-(2',5'-Bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl)cytosine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)DTXSID50931350(6R,8R,9R)-4-Amino-9-{[tert-butyldi(methyl)silyl]oxy}-6-({[tert-butyldi(methyl)silyl]oxy}methyl)-8-(2-hydroxy-4-iminopyrimidin-1(4H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione[1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-.beta.-D-ribofuranosyl]cytosine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)4-amino-1-[(1R,3R,4R)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]pyrimidin-2-one4-Amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-(2-hydroxy-4-iminopyrimidin-1(4H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dioneAids004710Aids-004710

Database identifiers

CAS: 142102-78-1
PubChem CID: 454463
DTXSID: DTXSID50931350

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 1,130

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Compound notes

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