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Substance Name: Pteropterin
RN: 89-38-3
UNII: 0YK15S31J3
InChIKey: WOLQREOUPKZMEX-BZSNNMDCSA-N

Molecular Formula

  • C29-H33-N9-O12

Molecular Weight

  • 699.6307
 
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Names and Synonyms

Name of Substance

  • Pteropterin

Synonyms

  • Fermentation L. casei factor
  • Folic acid diglutamate
  • Pteropterin
  • Pteroyl triglutamic acid
  • Pteroyl-gamma-glutamyl-gamma-glutamylglutamic acid
  • Pteroyl-gamma-triglutamic acid
  • Pteroyl-L-glutamyl-gamma-L-glutamyl-gamma-L-glutamic acid
  • Pteroyltri-gamma-L-glutamic acid
  • Pteroyltriglutamic acid
  • PTGA
  • Teropterin
  • UNII-0YK15S31J3

Systematic Names

  • Glutamic acid, N-(N-(N-pteroyl-L-gamma-glutamyl)-L-gamma-glutamyl)-, L-
  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-
  • L-Glutamic acid, N-(N-(N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 89-38-3

FDA UNII

  • 0YK15S31J3

System Generated Number

  • 0000089383

Structure Descriptors

InChI

1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/t16-,17-,18-/m0/s1

InChIKey

WOLQREOUPKZMEX-BZSNNMDCSA-N

Smiles

Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cnc2n1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -3.890 (none)   EST
Water Solubility 100 mg/L 5 EXP
Atmospheric OH Rate Constant 1.58E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.