NE 10790

CAT: 0013-GTR19175135-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19175135-01Size:2 mg

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Description

NE 10790

CAS Number

152831-36-2

Product Name Alternative

3-PEHPC, inhibit, NE 10790, NE10790, NE-10790, FPP synthase, FPPS, Inhibitor

Field of Research

Metabolism Research

Purity

95.49% (May vary between batches)

Solubility

H2O:1 mg/mL (4.05 mM) ; DMSO:< 1 mg/mL (insoluble or slightly soluble)

Smiles

C (CC=1C=CC=NC1) (P (=O) (O) O) (C (O) =O) O

Molecular Formula

C8H10NO6P

Molecular Weight

247.14

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

NE-10790

CAS Number	152831-36-2
PubChem CID	10014835
IUPAC Name	2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid
Molecular Formula	C8H10NO6P
Molecular Weight	247.14
XLogP	-1.8
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	316

SMILES

C1=CC(=CN=C1)CC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)

InChIKey

FJVYPXVLXQXDHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 152831-36-2

CID: 10014835

Formula: C8H10NO6P

MW: 247.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	247.14
XLogP3	-1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	247.02457404
Monoisotopic Mass	247.02457404
Topological Polar Surface Area	128 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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HY-16011-01	NE 10790
A20991-100	NE 10790 100mg
A20991-50	NE 10790 50mg
A20991-25	NE 10790 25mg
A20991-2	NE 10790 2mg
A20991-10	NE 10790 10mg
A20991-5	NE 10790 5mg

NE 10790

Chemical Information

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