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Chemical ID: 6046575

Chemical ID:

6046575

Name [?]:

[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxyphosphonic acid

SMILES [?]:

C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)O

InChi [?]:

InChI=1/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,5,4,6,3,7,18,17,15,16,14,11,12,13,8,9,10/E:(13,14,15)/rA:18cCCCCCCCOOPOOOOOOOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;d10;s10;s10;s6;s5;s4;s2;s1;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₇H₁₅O₁₀P
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	6

ZAP Information [?]

Total:	0.758907
Area:	424.912
Solvation:	-9.86388
Coulombic:	-142.055

Bond Count [?]

All:	18
Single:	17
Double:	1
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	290.162
H-Bond Donors:	7
H-Bond Acceptors:	10
XLogP:	-4.46
LogP (Chemaxon):	-2.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value