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CAS 99749-54-9 ALPHA-D(+)MANNOSE 1-PHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 99749-54-9

ALPHA-D(+)MANNOSE 1-PHOSPHATE SODIUM SALT

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Batchno.20251115 2mg In stock Shanghai Inquiry
  • Product code: starshine_CAS99749-54-9
  • Purity/Analytical Methods: >99.0%
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99749-54-9 / sodium [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Standard CAS: 99749-54-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99749-54-9
Multi CAS
Yes
Molecular Formula
C6H12NAO9P
Molecular Weight
282.120000
Exact Mass
282.011663
InChI
InChI=1S/C6H13O9P.2Na/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3-,4+,5+,6-;;/m1../s1
InChIKey
DCOZWBXYGZXXRX-ATVZWOOISA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
44.68
TPSA
159.74

LogP / Solubility

WLOGP
-6.73
MLOGP
-5.91
XLogP3
-6.73
Consensus LogP
-6.46
Log S (ESOL)
2.85
Class (ESOL)
Highly soluble
Log S (Ali)
2.99
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.73
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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