Cas no 143488-44-2 (1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI))
143488-44-2 structure
Product Name:1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI)
CAS No:143488-44-2
MF:C5H12O9P2
MW:278.09090423584
CID:175012
PubChem ID:126747
Update Time:2025-04-19
1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI)
- (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ<sup>5</sup>,4λ<sup>5</sup>-trioxadiphosphocan-7-ol
- (6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide
- 1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans-
- 3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate
- 3-Mthbcp
- (2R,4S,6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide
- (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol
- 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate
- DB03961
- 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
- DTXSID501123383
- CHEBI:18425
- SCHEMBL11952572
- Q27103069
- PD059544
- 143488-44-2
- 2-C-methyl-D-erythritol 2,4-cyclic diphosphate
- NS00070432
-
- 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)/t4-,5+/m1/s1
- InChI Key: SFRQRNJMIIUYDI-UHNVWZDZSA-N
- SMILES: P1(=O)(O)OP(=O)(O)OC[C@H]([C@](C)(CO)O1)O
Computed Properties
- Exact Mass: 277.996
- Monoisotopic Mass: 277.996
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 356
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.8
- Topological Polar Surface Area: 143?2
Experimental Properties
- Density: 1.79
- Boiling Point: 483.1°Cat760mmHg
- Flash Point: 246°C
- Refractive Index: 1.53
- PSA: 162.37000
- LogP: -0.63750
1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI) Related Literature
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Jan-Ytzen van der Meer,Anna K. H. Hirsch Nat. Prod. Rep. 2012 29 721
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Ian Hale,Paul M. O'Neill,Neil G. Berry,Audrey Odom,Raman Sharma Med. Chem. Commun. 2012 3 418
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4. Inhibitors of the kinase IspE: structure–activity relationships and co-crystal structure analysisAnna K. H. Hirsch,Magnus S. Alphey,Susan Lauw,Michael Seet,Luzi Barandun,Wolfgang Eisenreich,Felix Rohdich,William N. Hunter,Adelbert Bacher,Fran?ois Diederich Org. Biomol. Chem. 2008 6 2719
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5. Production of γ-terpinene by metabolically engineered Escherichia coli using glycerol as feedstockChang Qi,Hongwei Zhao,Wenyang Li,Xing Li,Haiying Xiang,Ge Zhang,Haobao Liu,Qian Wang,Yi Wang,Mo Xian,Haibo Zhang RSC Adv. 2018 8 30851
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