D-Erythro-sphinganine

Compound Structure:

Synonyms:

(+)-erythro-dihydrosphingosine; (2S,3R)-2-amino-1,3-octadecanediol; (2S,3R)-2-aminooctadecane-1,3-diol; (R-(R*,S*))-2-Aminooctadecane-1,3-diol; [R-(R*,S*)]-2-amino-1,3-Octadecanediol; 1,3-Octadecanediol, 2-amino-, (2S,3R)-

Compound ID:

NMPC-962

PubChem ID:

91486

Molecular Formula:

C18H39NO2

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CO)N)O

InChIKey:

OTKJDMGTUTTYMP-ZWKOTPCHSA-N

About the compound:

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

• 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]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	118.16 g/mol
XLogP3-AA	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	118.00885060 g/mol
Monoisotopic Mass	118.00885060 g/mol
Topological Polar Surface Area	59.4Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	85.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Psidium guajava

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