For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
#1B;2-[[[3-CARBOXY-3-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TETRA-(TRI
SpectraBase Compound ID Jstz9wLQtEF
InChI InChI=1S/2C25H31N8O9P.2C12H28N/c2*1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32);2*5-12H2,1-4H3/q;;2*+1
InChIKey MIBVLEQXHGPMBM-UHFFFAOYSA-N
Mol Weight 1609.81 g/mol
Molecular Formula C74H118N18O18P2
Exact Mass 1608.834673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2EvMPa8CJCN
Name #1B;2-[[[3-CARBOXY-3-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)-METHYL]-METHYLAMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TETRA-(TRI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H116N18O18P2
InChI InChI=1S/2C25H31N8O9P.2C12H28N/c2*1-33(11-15-10-28-21-19(29-15)20(26)31-25(27)32-21)16-5-2-13(3-6-16)22(36)30-17(24(39)40)8-9-43(41,42)12-14(23(37)38)4-7-18(34)35;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*2-3,5-6,10,14,17H,4,7-9,11-12H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H,39,40)(H,41,42)(H4,26,27,28,31,32);2*5-12H2,1-4H3/q;;2*+1
InChIKey MIBVLEQXHGPMBM-UHFFFAOYSA-N
Literature Reference Author N.VALIAEVA,D.BARTLEY,T.KONNO,J.K.COWARD
Literature Reference Citation J.ORG.CHEM.,66,5146(2001)
Literature Reference DOI 10.1021/jo010283t
Molecular Weight 1607.792 g/mol
Solvent D2O
Source File Reference UWLU27201