Back to Search
Molecule
Poly(I:C)
CAS: 24939-03-5 · C19H27N7O16P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24939-03-5
- Molecular Formula
- C19H27N7O16P2
- Molecular Mass
- 671.41 g/mol
Identifiers
CAS Registry Number
24939-03-5
SMILES
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
InChI Key
ACEVNMQDUCOKHT-ZLOOHWKQSA-N
InChI
InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,10-;4-,6-,7-,8-/m11/s1
Names and Synonyms
- Poly(I:C) Synonym
- 5′-Inosinic acid, homopolymer, complex with 5′-cytidylic acid homopolymer (1:1) Synonym
- 5′-Inosinic acid, polymers, complex with 5′-cytidylic acid polymers (1:1) Synonym
- 5′-Cytidylic acid, polymers, complex with 5′-inosinic acid polymers (1:1) Synonym
- 5′-Cytidylic acid, homopolymer, complex with 5′-inosinic acid homopolymer (1:1) Synonym
- Poly(C).poly(I) Synonym
- Polyribocytidylic acid-polyriboinosinic acid complex Synonym
- Poly(C:I) Synonym
- Polycytidylic-polyinosinic acid Synonym
- Polyinosinic-polycytidylic acid complex Synonym
- Polyinosinic-polycytidylic acid Synonym
- Poly(rI:rC) Synonym
- Polyinosinic acid:polycytidylic acid Synonym
- Polyinosinate:polycytidylate Synonym
- Polyinosinic acid:polycytidylic acid complex Synonym
- Poly(I).poly(C) Synonym
- Poly(rI).poly(rC) Synonym
- Poly(I:C) Synonym
- Poly(rI):poly(rC) Synonym
- Poly(cytidylic acid)-poly(inosinic acid) Synonym
- Poly(I).poly(C) complex Synonym
- Poly(rI)-poly(rC) Synonym
- 5′-Inosinic acid homopolymer-5′-cytidylic acid homopolymer complex (1:1) Synonym
- Polyinosinate-polycytidylate complex Synonym
- NSC 120949 Synonym
- NSC 123233 Synonym
- NSC 128576 Synonym
- Polyinosine-polycytidylic acid Synonym
- Poly(I)-poly(C) Synonym
- Poly I:C Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 671.41 g/mol | CAS Common Chemistry |
| 671.4060000000002 g/mol | RDKit | |
| 671.406 g/mol | RDKit | |
| 672.414 g/mol | chempirical lib | |
| Canonical SMILES | O=C1N=CNC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3O.O=C1N=C(N)C=CN1C2OC(COP(=O)(O)O)C(O)C2O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,10-;4-,6-,7-,8-/m11/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ACEVNMQDUCOKHT-ZLOOHWKQSA-N | CAS Common Chemistry |
| Name | Poly(I:C) | CAS Common Chemistry |
| Heavy Atom Count | 44 | RDKit |
| Hydrogen Bond Acceptors | 19 | RDKit |
| 17 | RDKit | |
| Hydrogen Bond Donors | 11 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 358.63 Ų | RDKit |
| 385.98 Ų | chempirical lib | |
| LogP | -3.9429299999999983 | RDKit |
| -3.9429 | RDKit | |
| Molar Refractivity | 134.57369999999997 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| Exact Mass | 671.0989510439999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 671.41 g/mol. Edit any field — others recompute live.
