N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine

CAS

139434-68-7

Catalog Number

ACM139434687

Category

Other Products

Molecular Weight

649.95

Molecular Formula

C₃₀H₄₇N₃O₇SSi₂

MSDS COA Spec Sheet

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Specification

Synonyms

N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine;TSN-013 2,-O-MethylthioMethyl-3,5-TIPDS-4N-Benzoyl Cytidine

Density

1.21

What is the molecular formula of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The molecular formula is C30H47N3O7SSi2.

What are the synonyms of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The synonyms are:
139434-68-7
N-Benzoyl-2'-o-[(methylthio)methyl]-3',5'-o-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine
N-[1-[(6aR,8R,9R,9aR)-9-(methylsulfanylmethoxy)-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]-2-oxopyrimidin-4-yl]benzamide
N-Benzoyl-2/'-O-[(methylthio)methyl]-3/',5/'-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]c
N-(2-Oxo-1-((6aR,8R,9R,9aR)-2,2,4,4-tetraisopropyl-9-((methylthio)methoxy)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-1,2-dihydropyrimidin-4-yl)benzamide

What is the molecular weight of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The molecular weight is 649.9 g/mol.

What is the IUPAC name of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The IUPAC name is N-[1-[(6aR,8R,9R,9aR)-9-(methylsulfanylmethoxy)-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]-2-oxopyrimidin-4-yl]benzamide.

What is the InChI of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The InChI is InChI=1S/C30H47N3O7SSi2/c1-19(2)42(20(3)4)37-17-24-26(39-43(40-42,21(5)6)22(7)8)27(36-18-41-9)29(38-24)33-16-15-25(32-30(33)35)31-28(34)23-13-11-10-12-14-23/h10-16,19-22,24,26-27,29H,17-18H2,1-9H3,(H,31,32,34,35)/t24-,26-,27-,29-/m1/s1.

What is the InChIKey of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The InChIKey is CWVIBHROGHPVKN-UNXBZVTQSA-N.

What is the canonical SMILES of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The canonical SMILES is CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)OCSC)O[Si](O1)(C(C)C)C(C)C.

What is the isomeric SMILES of N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine?

The isomeric SMILES is CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)OCSC)O[Si](O1)(C(C)C)C(C)C).

How many hydrogen bond donor count does N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does N-Benzoyl-2-O-[(methylthio)methyl]-3,5-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]cytidine have?

It has 8 hydrogen bond acceptor count.