Spectinomycin dihydrochloride pentahydrate

Name: Spectinomycin dihydrochloride pentahydrate
SKU: PI22189328
Rating: 5 (1 reviews)

Catalog NumberPI22189328

CAS Number22189-32-8

CategoryAnti-Infection Intermediates

Spectinomycin dihydrochloride pentahydrate

Product Details

Synonyms	(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one dihydrochloride pentahydrate
Purity	95%
Molecular Formula	C14H36Cl2N2O12
Molecular Weight	495.35
Molar Refractivity	104.82

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Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.17
Brenk	0.0 alert
Consensus Log Po/w	-2.7
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.93
Ghose	None
GI Absorption	Low
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	14.0
Hydrogen Bond Donor Count	10.0
Leadlikeness	1.0
Lipinski	2.0
Log Kp (Skin Permeation)	-12.06 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	-5.72
Log Po/w (SILICOS-IT)	-2.27
Log Po/w (WLOGP)	-1.64
Log Po/w (XLOGP3)	-3.85
Muegge	4.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	2
Synthetic Accessibility	5.89
Topological Polar Surface Area	175.66 Å²
Veber	1.0

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