N-tert-Butyloxycarbonyl-D-erythro-sphingosine-2,3-N,O-acetonide-1-phosphate Bis[1-(2-nitrophenyl)ethyl]ester - CAS 207516-26-5
Catalog: |
BB072406 |
Product Name: |
N-tert-Butyloxycarbonyl-D-erythro-sphingosine-2,3-N,O-acetonide-1-phosphate Bis[1-(2-nitrophenyl)ethyl]ester |
CAS: |
207516-26-5 |
Synonyms: |
(4S,5R)-4-[[[Bis[1-(2-nitrophenyl)ethoxy]phosphinyl]oxy]methyl]-2,2-dimethyl-5-(1E)-1-pentadecen-1-yl-3-oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (4S,5R)-4-[bis[1-(2-nitrophenyl)ethoxy]phosphoryloxymethyl]-2,2-dimethyl-5-[(E)-pentadec-1-enyl]-1,3-oxazolidine-3-carboxylate |
Description: | A protected Sphingosine. Intermediate in the preparation of a photolyzable derivative of sphingosine. |
Molecular Weight: | 817.94 |
Molecular Formula: | C42H64N3O11P |
Canonical SMILES: | CCCCCCCCCCCCCC=CC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(OC(C)C2=CC=CC=C2[N+](=O)[O-])OC(C)C3=CC=CC=C3[N+](=O)[O-] |
InChI: | InChI=1S/C42H64N3O11P/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-30-39-38(43(42(7,8)53-39)40(46)54-41(4,5)6)31-52-57(51,55-32(2)34-26-22-24-28-36(34)44(47)48)56-33(3)35-27-23-25-29-37(35)45(49)50/h21-30,32-33,38-39H,9-20,31H2,1-8H3/b30-21+/t32?,33?,38-,39+,57?/m0/s1 |
InChI Key: | IPVZPYOMIGPVKC-IHELDSHGSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Light Yellow Oil |
Complexity: | 1270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 817.42784686 |
Formal Charge: | 0 |
Heavy Atom Count: | 57 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 817.42784686 |
Rotatable Bond Count: | 24 |
Topological Polar Surface Area: | 175Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 11.6 |
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