2-(Diethoxyphosphoryl)acetic acid

Name: 2-(Diethoxyphosphoryl)acetic acid
SKU: PI3095952
Rating: 5 (1 reviews)

Cat. No.: PI3095952

Product Details Other Identifiers Computed Properties

CAS	3095-95-2
Purity	98%
Molecular Formula	C6H13O5P
Linear Formula	(CH3CH2O)2P(O)CH2COOH
Molecular Weight	196.14
Molar Refractivity	43.56

Pubchem ID	36704
InChI Key	DVQMPWOLBFKUMM-UHFFFAOYSA-N
MDL Number	MFCD00192032

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	82.64 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.83
Log Po/w (iLOGP)	0.91
Log Po/w (XLOGP3)	-0.2
Log Po/w (WLOGP)	1.34
Log Po/w (MLOGP)	-0.18
Log Po/w (SILICOS-IT)	-0.38
Consensus Log Po/w	0.3
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.64 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.83

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