VW0

(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

Created: 2023-04-12
Last modified:  2023-09-20

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count6
Bond Count44
Aromatic Bond Count0
2D diagram of VW0
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Chemical Component Summary

Name(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
FormulaC11 H20 N O11 P
Molecular Weight373.25
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C
Canonical SMILESCACTVS3.385 C[C@@H](O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C
InChIInChI1.06 InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1
InChIKeyInChI1.06 NMEMTQKUEVNSPV-MDMHTWEWSA-N

Related Resource References

Resource NameReference
PubChem 168490157