[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten

C18H34NO8PW-2 — CID 59905723

IUPAC[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
SMILESCC(C)OC[C@H]1O[C@@H](C)C(N)C1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(C)C.[W]
InChIInChI=1S/C18H35NO8P.W/c1-10(2)22-8-16-18(17(19)13(6)26-16)27-28(20,21)23-9-15-14(24-11(3)4)7-12(5)25-15;/h10-14,16-18H,7-9,19H2,1-6H3,(H,20,21);/q-1;/p-1/t12-,13-,14?,16+,17?,18?;/m0./s1
InChIKeyNQUOISXGDJXZAX-FSTBAACVSA-M
MW607.28 g/mol
LogP1.53
Rot. Bonds10

About [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten

[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (PubChem CID 59905723) has the molecular formula C18H34NO8PW-2 and a molecular weight of 607.28 g/mol. Its IUPAC name is [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.

Molecular Properties

Compound Name[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
PubChem CID59905723
Molecular FormulaC18H34NO8PW-2
Molecular Weight607.28 g/mol
Exact Mass607.15
IUPAC Name[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten
SMILESCC(C)OC[C@H]1O[C@@H](C)C(N)C1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(C)C.[W]
InChIInChI=1S/C18H35NO8P.W/c1-10(2)22-8-16-18(17(19)13(6)26-16)27-28(20,21)23-9-15-14(24-11(3)4)7-12(5)25-15;/h10-14,16-18H,7-9,19H2,1-6H3,(H,20,21);/q-1;/p-1/t12-,13-,14?,16+,17?,18?;/m0./s1
InChIKeyNQUOISXGDJXZAX-FSTBAACVSA-M
XLogP1.53
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593
[(1R,3S)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
CID 59925353
[(1R,3S,5R)-2-amino-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,3R,5S)-5-methyl-2-(propan-2-yloxymethyl)-2,3,4,5-tetrahydrofuran-4-id-3-yl] phosphate;tungsten
CID 59914594
[(2R,4R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl phosphate;tungsten
CID 59991686
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59991690
[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59905543
CID 59991582
CID 59991582
methyl [(2R,4R,5S)-5-methyl-2-(propan-2-yloxymethyl)-4-sulfanyloxolan-3-yl] [(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl phosphate
CID 59925338
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914417
[[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]phosphoryl]boranuide
CID 152811134
[(2R,3R,5S)-2-(aminomethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(1R,2S,4R)-2-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(1R,2R,4S)-3-amino-4-methyl-2-(propan-2-yloxymethyl)cyclopentyl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate;[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] 1-[(2S,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]ethenyl phosphate
CID 159625389
[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
CID 59991673

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The IUPAC name of [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten (CID 59905723) is [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten.
What is the SMILES notation for [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The canonical SMILES for [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten is CC(C)OC[C@H]1O[C@@H](C)C(N)C1OP(=O)([O-])OC[C-]1O[C@@H](C)CC1OC(C)C.[W].
What is the InChIKey of [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
The InChIKey is NQUOISXGDJXZAX-FSTBAACVSA-M. The full InChI is InChI=1S/C18H35NO8P.W/c1-10(2)22-8-16-18(17(19)13(6)26-16)27-28(20,21)23-9-15-14(24-11(3)4)7-12(5)25-15;/h10-14,16-18H,7-9,19H2,1-6H3,(H,20,21);/q-1;/p-1/t12-,13-,14?,16+,17?,18?;/m0./s1.
What are the key properties of [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten?
[(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten has a molecular weight of 607.28 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S)-2-methyl-4-propan-2-yloxy-3,4-dihydro-2H-furan-5-id-5-yl]methyl phosphate;tungsten is sourced from PubChem (CID 59905723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).