SpectraBase Spectrum ID |
HkK4FcIvAhJ |
Name |
2,6-Anhydro-1,3,4-tri-o-benzyl-9-[(diphenoxyphosphoryl)amino]-7,8,9-trideoxy-D-glycero-1-gulo-nonitol |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
765.306669119 u |
Formula |
C44H48NO9P |
InChI |
InChI=1S/C44H48NO9P/c1-34(46)51-43-40(28-17-29-45-55(47,53-38-24-13-5-14-25-38)54-39-26-15-6-16-27-39)52-41(33-48-30-35-18-7-2-8-19-35)42(49-31-36-20-9-3-10-21-36)44(43)50-32-37-22-11-4-12-23-37/h2-16,18-27,40-44H,17,28-33H2,1H3,(H,45,47)/t40-,41-,42-,43?,44+/m1/s1 |
InChIKey |
HWHKDXNDOHGMCK-PHRXMLSDSA-N |
Molecular Weight |
765.840 g/mol |
SMILES |
[C@@]1(C([C@](O[C@@]([C@]1(OCC1=CC=CC=C1)[H])(COCC=1C=CC=CC1)[H])(CCCNP(OC1=CC=CC=C1)(OC1=CC=CC=C1)=O)[H])OC(=O)C)(OCC=1C=CC=CC1)[H] |