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CAS 1007117-62-5 CMP-NAN SODIUM SALT molecular structure lightbox
CAS RN: 1007117-62-5

CMP-NAN SODIUM SALT

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 5mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai 15 business days Inquiry
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Batchno.20251022 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: starshine_CAS1007117-62-5
  • Purity/Analytical Methods: >99.0%
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1007117-62-5 / sodium [(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

cytidine monophosphate N-acetylneuraminic acid | Cmp-nana | Acetylneuraminic acid, CMP

Standard CAS: 1007117-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007117-62-5
Multi CAS
Yes
Molecular Formula
C20H30N4NaO16P
Molecular Weight
636.400000
Exact Mass
636.129212
SMILES
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O.[Na+]
InChI
InChI=1S/C20H31N4O16P.Na/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34;/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34);/q;+1/p-1/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+;/m0./s1
InChIKey
VFRHSOGUONIUOR-HLZBELLTSA-M
Synonyms
cytidine monophosphate N-acetylneuraminic acid Cmp-nana Acetylneuraminic acid, CMP CMP acetylneuraminic acid CMP-N-acetylneuraminic acid

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
11
H-bond acceptors
18
H-bond donors
9
Molar refractivity
126.04
TPSA
325.74

LogP / Solubility

WLOGP
-8.9
MLOGP
-7.78
XLogP3
-8.9
Consensus LogP
-8.53
Log S (ESOL)
2.44
Class (ESOL)
Highly soluble
Log S (Ali)
1.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.27
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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