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CAS 108321-99-9 D-RIBULOSE 5-PHOSPHATE DISODIUM SALT molecular structure lightbox
CAS RN: 108321-99-9

D-RIBULOSE 5-PHOSPHATE DISODIUM SALT

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 1mg / 5mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS108321-99-9
  • Purity/Analytical Methods: >99.0%
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108321-99-9 / disodium;[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] phosphate

D-Ribulose 5-phosphate sodium salt | D-Ribulose 5-phosphate disodium salt | disodium;[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] phosphate

Standard CAS: 108321-99-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108321-99-9
Multi CAS
Yes
Molecular Formula
C5H9Na2O8P
Molecular Weight
274.070000
Exact Mass
273.983043
SMILES
C([C@H]([C@H](C(=O)CO)O)O)OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C5H11O8P.2Na/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;;/h4-6,8-9H,1-2H2,(H2,10,11,12);;/q;2*+1/p-2/t4-,5+;;/m1../s1
InChIKey
NBEPTNUBEFMKAU-CIFXRNLBSA-L
Synonyms
D-Ribulose 5-phosphate sodium salt D-Ribulose 5-phosphate disodium salt disodium;[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] phosphate Ru-5-P Disodium 5-O-phosphonato-D-ribulose

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
37.66
TPSA
150.18

LogP / Solubility

WLOGP
-9.88
MLOGP
-8.68
XLogP3
-9.88
Consensus LogP
-9.48
Log S (ESOL)
5.08
Class (ESOL)
Highly soluble
Log S (Ali)
5.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.04
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)
-11.4

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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