Vaccine Lab / Alfa Chemistry
Sodium (S)-2-amino-3-((((R)-2,3-bis(dodecanoyloxy)propoxy)oxidophosphoryl)oxy)propanoate

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Sodium (S)-2-amino-3-((((R)-2,3-bis(dodecanoyloxy)propoxy)oxidophosphoryl)oxy)propanoate

Catalog Number ACM208757511
CAS 208757-51-1
Synonyms DLPS
IUPAC Name Disodium;(2S)-2-amino-3-[[(2R)-2,3-di(dodecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight 645.74
Molecular Formula C30H57NNaO10P
Canonical SMILES CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CCCCCCCCCCC.[Na+].[Na+]
InChI InChI=1S/C30H58NO10P.2Na/c1-3-5-7-9-11-13-15-17-19-21-28(32)38-23-26(24-39-42(36,37)40-25-27(31)30(34)35)41-29(33)22-20-18-16-14-12-10-8-6-4-2;/h26-27H,3-25,31H2,1-2H3,(H,34,35)(H,36,37);/q;2*+1/p-2/t26-,27+;/m1/s1
InChI Key SFFNDGPJOWQUTH-IBUTWNQASA-L
Purity 98%+
Isomeric SMILES CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])N)OC(=O)CCCCCCCCCCC.[Na+].[Na+]
Physical State Solid
Storage Conditions -20 °C
Knowledge & Learning Case Study Q&A

What is the IUPAC Name of Sodium (S)-2-amino-3-((((R)-2,3-bis(dodecanoyloxy)propoxy)oxidophosphoryl)oxy)propanoate?

The IUPAC Name of the compound is Sodium (S)-2-amino-3-((((R)-2,3-bis(dodecanoyloxy)propoxy)oxidophosphoryl)oxy)propanoate.

How many Hydrogen Bond Acceptor Count does the compound have?

The compound has 11 Hydrogen Bond Acceptor Count.

What is the Molecular Weight of the compound?

The Molecular Weight of the compound is 667.7g/mol.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CCCCCCCCCCC.[Na+].[Na+].

How many Covalently-Bonded Unit Count are in the compound?

The compound has 3 Covalently-Bonded Unit Count.

What is the Monoisotopic Mass of the compound?

The Monoisotopic Mass of the compound is 667.34372254.

What is the Exact Mass of the compound?

The Exact Mass of the compound is 667.34372254.

What is the InChIKey of the compound?

The InChIKey of the compound is SFFNDGPJOWQUTH-IBUTWNQASA-L.

What is one of the Depositor-Supplied Synonyms for the compound?

One of the Depositor-Supplied Synonyms is 208757-51-1.

How many Rotatable Bond Count does the compound have?

The compound has 31 Rotatable Bond Count.

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