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141816-32-2 | 1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide
CAS No: 141816-32-2 Catalog No: AG001H8T MDL No:
Product Description
Catalog Number:
AG001H8T
Chemical Name:
1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide
CAS Number:
141816-32-2
Molecular Formula:
C5H12O9P2
Molecular Weight:
278.0909
IUPAC Name:
2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ5,4λ5-trioxadiphosphocan-7-ol
InChI:
InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key:
SFRQRNJMIIUYDI-UHFFFAOYSA-N
SMILES:
OCC1(C)OP(=O)(O)OP(=O)(OCC1O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.09g/mol
Monoisotopic Mass:
277.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
Literature
| Title | Journal |
|---|---|
| [Properties of 2-C-methyl-D-erythritol 2,4-cyclopyrophosphate--an intermediate in the non-mevalonate isoprenoid biosynthesis]. | Prikladnaia biokhimiia i mikrobiologiia 20030101 |
| Synthesis of 2-C-methyl-D-erythritol 2,4-cyclopyrophosphate. | Organic letters 20020404 |
| [Immunomodulatory properties of 2-C-methyl-D-erythritol-2,4-cyclopyrophosphate and search for its new derivatives]. | Prikladnaia biokhimiia i mikrobiologiia 20010101 |
| Biosynthesis of terpenoids: YgbB protein converts 4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate to 2C-methyl-D-erythritol 2,4-cyclodiphosphate. | Proceedings of the National Academy of Sciences of the United States of America 20000314 |
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