S7P

1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose

Created: 2014-08-28
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count5
Bond Count33
Aromatic Bond Count0
2D diagram of S7P
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Chemical Component Summary

Name1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
Synonyms1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose; 1-C-(hydroxymethyl)-6-O-phosphono-D-altrose; 1-C-(hydroxymethyl)-6-O-phosphono-altrose
Systematic Name (OpenEye OEToolkits)[(2R)-2-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] dihydrogen phosphate
FormulaC7 H15 O10 P
Molecular Weight290.162
TypeD-SACCHARIDE, BETA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
SMILESCACTVS3.385OC[C]1(O)O[CH]([CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.6C(C(C1C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.385 OC[C@@]1(O)O[C@H]([C@H](O)CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.7.6 C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
InChIKeyInChI1.03 RKCHIPUTSFLEHR-BNWJMWRWSA-N

Related Resource References

Resource NameReference
PubChem 91826668