[email protected]
CAS 108347-85-9 β-nicotinamide mononucleotide, reduced form, disodium salt(NMNH) molecular structure lightbox
CAS RN: 108347-85-9

β-nicotinamide mononucleotide, reduced form, disodium salt(NMNH)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS108347-85-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

108347-85-9 / disodium;[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Standard CAS: 108347-85-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108347-85-9
Multi CAS
Yes
Molecular Formula
C11H15N2Na2O8P
Molecular Weight
380.200000
Exact Mass
380.036141
SMILES
C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C11H17N2O8P.2Na/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19;;/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19);;/q;2*+1/p-2/t7-,8-,9-,11-;;/m1../s1
InChIKey
VBSHHBISJKQWQV-BXMOOSBBSA-L

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
3
Molar refractivity
67.11
TPSA
168.44

LogP / Solubility

WLOGP
-9.13
MLOGP
-8.01
XLogP3
-9.13
Consensus LogP
-8.76
Log S (ESOL)
3.88
Class (ESOL)
Highly soluble
Log S (Ali)
3.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.84
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)
-11.52

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us