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CONTACT US| Catalog Number | ACM796964051 |
| CAS | 796964-05-1 |
| Synonyms | E. coli CA |
| IUPAC Name | Disodium;[3-[(3-hexadecanoyloxy-2-octadec-9-enoyloxypropoxy)-oxidophosphoryl]oxy-2-hydroxypropyl] [2-[8-(2-hexylcyclopropyl)octanoyloxy]-3-pentadecanoyloxypropyl] phosphate |
| Molecular Weight | 1421.8 |
| Molecular Formula | C75H140Na2O17P2 |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCC1CC1CCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+].[Na+] |
| InChI | InChI=1S/C75H142O17P2.2Na/c1-5-9-13-17-20-23-26-29-30-32-35-38-41-46-52-58-74(79)91-70(63-85-72(77)57-51-45-40-37-34-31-27-24-21-18-14-10-6-2)65-89-93(81,82)87-61-69(76)62-88-94(83,84)90-66-71(64-86-73(78)56-50-44-39-36-33-28-25-22-19-15-11-7-3)92-75(80)59-53-47-42-43-49-55-68-60-67(68)54-48-16-12-8-4;/h29-30,67-71,76H,5-28,31-66H2,1-4H3,(H,81,82)(H,83,84);/q;2*+1/p-2 |
| InChI Key | ZGXBPVVNHLSVRG-UHFFFAOYSA-L |
| Purity | 99%+ |
| Complexity | 1890 |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Exact Mass | 1420.93611555 |
| Heavy Atom Count | 96 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 1 |
| Monoisotopic Mass | 1420.93611555 |
| Physical State | Powder |
| Rotatable Bond Count | 77 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 243 Ų |
What is the molecular formula of Cardiolipin (E. coli, Disodium Salt)?
The molecular formula of Cardiolipin (E. coli, Disodium Salt) is C75H140Na2O17P2.
What is the molecular weight of Cardiolipin (E. coli, Disodium Salt)?
The molecular weight of Cardiolipin (E. coli, Disodium Salt) is 1421.8g/mol.
How many hydrogen bond acceptor counts does Cardiolipin (E. coli, Disodium Salt) have?
Cardiolipin (E. coli, Disodium Salt) has 17 hydrogen bond acceptor counts.
How many hydrogen bond donor counts does Cardiolipin (E. coli, Disodium Salt) have?
Cardiolipin (E. coli, Disodium Salt) has 1 hydrogen bond donor count.
What is the canonical SMILES representation of Cardiolipin (E. coli, Disodium Salt)?
The canonical SMILES representation of Cardiolipin (E. coli, Disodium Salt) is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCC1CC1CCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+].[Na+]
What is the IUPAC name of Cardiolipin (E. coli, Disodium Salt)?
The IUPAC name of Cardiolipin (E. coli, Disodium Salt) is disodium;[3-[(3-hexadecanoyloxy-2-octadec-9-enoyloxypropoxy)-oxidophosphoryl]oxy-2-hydroxypropyl] [2-[8-(2-hexylcyclopropyl)octanoyloxy]-3-pentadecanoyloxypropyl] phosphate.
How many heavy atoms are present in Cardiolipin (E. coli, Disodium Salt)?
There are 96 heavy atoms present in Cardiolipin (E. coli, Disodium Salt).
What is the exact mass of Cardiolipin (E. coli, Disodium Salt)?
The exact mass of Cardiolipin (E. coli, Disodium Salt) is 1420.93611555.
What is the InChIKey of Cardiolipin (E. coli, Disodium Salt)?
The InChIKey of Cardiolipin (E. coli, Disodium Salt) is ZGXBPVVNHLSVRG-UHFFFAOYSA-L.
What is the record title of Cardiolipin (E. coli, Disodium Salt)?
The record title of Cardiolipin (E. coli, Disodium Salt) is Cardiolipin (E. coli, Disodium Salt).
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