E-5531 TETRASODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H132N2O22P2.4Na
Molecular Weight	1543.736
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP([O-])([O-])=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP([O-])([O-])=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC

InChI

InChIKey=DGMRJWGRBMZSNS-PUTBNFGESA-J

InChI=1S/C73H136N2O22P2.4Na/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3;;;;/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88);;;;/q;4*+1/p-4/b33-30-;;;;/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-;;;;/m1..../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C73H132N2O22P2
Molecular Weight	1451.7769
Charge	-4
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:24 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:24 GMT 2023`
Record UNII	HX9L0AHW4Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

E-5531 TETRASODIUM

Code

English

.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-((3R)-3-(((5Z)-1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-((3R)-3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPH

Common Name

English

.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1,3-DIOXOTETRADECYL)AMINO)-6-O-METHYL-3-O-(3-((1-OXO-5-DODECENYL)OXY)DECYL)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-3-O-(3-HYDROXYDECYL)-, 1-(DIHYDROGEN PHOSPHATE), TETRASODI

Common Name

English

2-DEOXY-6-O-(2-DEOXY-3-O-((R)-3-(Z)-DODEC-5-ENOYLOXYDECYL)-6-O-METHYL-2-(3-OXOTETRADECANOYLAMINO)-4-O-PHOSPHONATO-B-D-GLUCOPYRNOSYL)-3-O-((R)-3-HYDROXYDECYL)-2-(3-OXOTETRADECANOYLAMINO)-A-D-GLUCOPYRANOSYLPHOSPHATE TETRASODIUM

Common Name

English

Code System Code Type Description

PUBCHEM

9812656

Created by admin on Fri Dec 15 15:40:24 GMT 2023 , Edited by admin on Fri Dec 15 15:40:24 GMT 2023

PRIMARY

CAS

151663-12-6

Created by admin on Fri Dec 15 15:40:24 GMT 2023 , Edited by admin on Fri Dec 15 15:40:24 GMT 2023

PRIMARY

FDA UNII

HX9L0AHW4Z

Created by admin on Fri Dec 15 15:40:24 GMT 2023 , Edited by admin on Fri Dec 15 15:40:24 GMT 2023

PRIMARY

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