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Triglutamate folate

CAT: 0013-GTR19259933-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259933-01Size:25 mg
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Description
Triglutamate folate is a bioactive chemical.
CAS Number
29701-38-0
Purity
>98% (HPLC)
Molecular Formula
C34H40N10O15
Molecular Weight
828.74
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Triglutamate folate
CAS Number29701-38-0
PubChem CID135600307
IUPAC Name(2S,6R)-2-amino-6-[[(4S)-4-amino-4-carboxybutanoyl]-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-6-[(4S)-4-amino-4-carboxybutanoyl]oxycarbonyl-5-oxononanedioic acid
Molecular FormulaC34H40N10O15
Molecular Weight828.7
XLogP-11.2
Topological Polar Surface Area430
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count22
Rotatable Bond Count24
Heavy Atom Count59
Formal Charge0
Complexity1690
SMILES
C1=CC(=CC=C1C(=O)N(C(=O)CC[C@@H](C(=O)O)N)[C@](CCC(=O)O)(C(=O)CC[C@@H](C(=O)O)N)C(=O)OC(=O)CC[C@@H](C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI
InChI=1S/C34H40N10O15/c35-18(29(52)53)5-8-21(45)34(12-11-23(47)48,32(58)59-24(49)10-7-20(37)31(56)57)44(22(46)9-6-19(36)30(54)55)28(51)15-1-3-16(4-2-15)39-13-17-14-40-26-25(41-17)27(50)43-33(38)42-26/h1-4,14,18-20,39H,5-13,35-37H2,(H,47,48)(H,52,53)(H,54,55)(H,56,57)(H3,38,40,42,43,50)/t18-,19-,20-,34+/m0/s1
InChIKey
BYLAPEVCLJECHH-NORTZESASA-N
Chemical Structure
2D Structure
2D structure of Triglutamate folate
CAS: 29701-38-0
CID: 135600307
Formula: C34H40N10O15
MW: 828.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.7
XLogP3-11.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count22
Rotatable Bond Count24
Exact Mass828.26746061
Monoisotopic Mass828.26746061
Topological Polar Surface Area430 Ų
Heavy Atom Count59
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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