CAS RN: 14689-84-0
d-ribulose 1,5-diphosphate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 5mg | In stock | Hebei | Inquiry |
- Product code: starshine_CAS14689-84-0
- Purity/Analytical Methods: >99.0%
14689-84-0 / [(3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate
Basic Information
CAS
14689-84-0
Multi CAS
No
Molecular Formula
C5H12O11P2
Molecular Weight
310.090000
Exact Mass
309.985485
SMILES
C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5?/m1/s1
InChIKey
AAAFZMYJJHWUPN-SOOFDHNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
6
Molar refractivity
51.8
TPSA
183.21
LogP / Solubility
WLOGP
-2.35
MLOGP
-2.05
XLogP3
-4.7
Consensus LogP
-3.03
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-6.28
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
3.5
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